Geometry & MOs

Info

ID:	133167
PubChem CID:	51486430
Reduced:	N2O5C19H20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	381.132471
ΔH_f, kcal/mol:	-108.48
Dipole, Da:	9.97
IP(EA), eV:	-9.62(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations