Geometry & MOs

Info

ID:	34241
PubChem CID:	7890435
Reduced:	N3O5C17H17 (1)
Stoich.:	A3B5C17D17 (1)
Weight, g/mol:	414.19032
ΔH_f, kcal/mol:	-93.13
Dipole, Da:	3.85
IP(EA), eV:	-9.75(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(5-nitro-2-oxopyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations