Geometry & MOs

Info

ID:	176689
PubChem CID:	76083040
Reduced:	N4O4C27H28 (1)
Stoich.:	A4B4C27D28 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	-44.59
Dipole, Da:	7.82
IP(EA), eV:	-9.42(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-3-sulfanylpropanoyl)amino]-N-methyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCCCC1=NC2=C(N=NC(=O)C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)CCC

DOS

IR

Vibrations