Geometry & MOs

Info

ID:	338315
PubChem CID:	127259007
Reduced:	SN2O4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	342.132805
ΔH_f, kcal/mol:	-90.58
Dipole, Da:	6.65
IP(EA), eV:	-8.66(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(N-(2-aminoacetyl)-4-nitroanilino)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C3=CC=CC=C3)OC(=O)[C@H](C)N

DOS

IR

Vibrations