Geometry & MOs

Info

ID:	69303
PubChem CID:	46530626
Reduced:	F2N2O4C21H22 (1)
Stoich.:	A2B2C4D21E22 (1)
Weight, g/mol:	416.115441
ΔH_f, kcal/mol:	-206.87
Dipole, Da:	5.97
IP(EA), eV:	-9.15(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)CNC(=O)/C=C/C2=CC(=C(C=C2)OC(F)F)OC

DOS

IR

Vibrations