Geometry & MOs

Info

ID:	339968
PubChem CID:	127261977
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	372.14337
ΔH_f, kcal/mol:	-55.43
Dipole, Da:	1.74
IP(EA), eV:	-8.36(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(N-[(2S)-2-amino-3-hydroxypropanoyl]-4-nitroanilino)-3-phenylpropanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC2=CC=CC=C21)N([C@@H](CC3=CC=CC=C3)C(=O)N)C(=O)[C@@H]4CCCN4

DOS

IR

Vibrations