Geometry & MOs

Info

ID:	392917
PubChem CID:	135018452
Reduced:	N2O3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-84.51
Dipole, Da:	4.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.015796
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[(2-ethenyl-3-hydroxy-4-methylpentanoyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](C[N+]1=CC2=CC=CC=C2C1=O)C3=CC=CC=C3

DOS

IR

Vibrations