Geometry & MOs

Info

ID:	188896
PubChem CID:	77780090
Reduced:	FN3O5H20C23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	405.132471
ΔH_f, kcal/mol:	-200.0
Dipole, Da:	6.25
IP(EA), eV:	-9.14(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-hydroxyphenyl)-1-(N-nitroanilino)-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)C=C3C4=CC=CC=C4N(C3=O)C(=O)C)F

DOS

IR

Vibrations