Geometry & MOs

Info

ID:	311132
PubChem CID:	126589549
Reduced:	N5O8C29H35 (1)
Stoich.:	A5B8C29D35 (1)
Weight, g/mol:	480.233247
ΔH_f, kcal/mol:	-323.28
Dipole, Da:	8.29
IP(EA), eV:	-8.84(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-amino-4-[[2-[[2-[[(1S)-2-[(2-amino-2-hydroxyethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-oxobutanoate

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

CC(C)(C)OC(=O)CC(C(=O)NCC(=O)NCC(=O)NCC(=O)N)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

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

CC(C)(C)OC(=O)CC(C(=O)NCC(=O)NCC(=O)NCC(=O)N)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):