Geometry & MOs

Info

ID:	340007
PubChem CID:	127262016
Reduced:	SN4O4C34H42 (1)
Stoich.:	AB4C4D34E42 (1)
Weight, g/mol:	457.228496
ΔH_f, kcal/mol:	-124.29
Dipole, Da:	10.28
IP(EA), eV:	-8.7(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[2-[[(2S)-1-[[2-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]propanamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCCN(CC(=O)N)C(=O)CNC(=O)[C@H](C(C)C)NC(=O)CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCCN(CC(=O)N)C(=O)CNC(=O)[C@H](C(C)C)NC(=O)CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):