Geometry & MOs

Info

ID:	195976
PubChem CID:	78758531
Reduced:	ClOSF2N2C17H18 (1)
Stoich.:	ABCD2E2F17G18 (1)
Weight, g/mol:	405.132958
ΔH_f, kcal/mol:	-95.43
Dipole, Da:	5.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.790632
Charge, e:	1

Chem-info

IUPAC name:

[2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)[NH2+]CC(=O)NC2=CC=CC=C2SC(F)F

DOS

IR

Vibrations