Geometry & MOs

Info

ID:	336438
PubChem CID:	127255445
Reduced:	O5C15H16 (1)
Stoich.:	A5B15C16 (1)
Weight, g/mol:	508.220096
ΔH_f, kcal/mol:	-128.85
Dipole, Da:	5.78
IP(EA), eV:	-9.19(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(2S)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoyl]amino]-N-[(2S)-1,6-diamino-1-oxohexan-2-yl]pentanediamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=CC(=CC(=C2OC1=O)O)C(C)C

DOS

IR

Vibrations