Geometry & MOs

Info

ID:	64389
PubChem CID:	29199446
Reduced:	FNOSH12C16 (1)
Stoich.:	ABCDE12F16 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-19.61
Dipole, Da:	4.67
IP(EA), eV:	-8.96(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-(4-nitroanilino)-N-phenylbutanamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)C2=CC3=C(S2)C=C(C=C3)F

DOS

IR

Vibrations