Geometry & MOs

Info

ID:	311098
PubChem CID:	126589420
Reduced:	N2O6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	423.15764
ΔH_f, kcal/mol:	-213.9
Dipole, Da:	3.67
IP(EA), eV:	-10.03(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-amino-2-oxoethyl)-3-phenyl-2-[[2-[[2-(3-sulfanylpropanoylamino)acetyl]amino]acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N(C(=O)C)OC(=O)CCCN1C(C=CC1=O)O

DOS

IR

Vibrations