Geometry & MOs

Info

ID:	340028
PubChem CID:	127262037
Reduced:	N4O7C21H30 (1)
Stoich.:	A4B7C21D30 (1)
Weight, g/mol:	358.185235
ΔH_f, kcal/mol:	-290.8
Dipole, Da:	10.83
IP(EA), eV:	-9.29(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]-ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

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

C[C@@H](C(=O)N)N([C@@H](CC(=O)O)C=O)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)N

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

C[C@@H](C(=O)N)N([C@@H](CC(=O)O)C=O)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):