Geometry & MOs

Info

ID:	46566
PubChem CID:	10525266
Reduced:	SN2O4H16C22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	404.173607
ΔH_f, kcal/mol:	-13.63
Dipole, Da:	9.19
IP(EA), eV:	-8.38(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[amino(phenylmethoxycarbonyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=C(C(=S)NC3=C2C(=O)C4=CC=CC=C43)C#N

DOS

IR

Vibrations