Geometry & MOs

Info

ID:	339519
PubChem CID:	127261509
Reduced:	SN3O4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	334.164105
ΔH_f, kcal/mol:	-131.2
Dipole, Da:	2.19
IP(EA), eV:	-9.09(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-(2-amino-2-oxoethyl)-N-(2-phenylethyl)butanediamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)N[C@@H](CSCC2=CC=CC=C2)C(=O)NCC(=O)N

DOS

IR

Vibrations