Geometry & MOs

Info

ID:	31912
PubChem CID:	3723278
Reduced:	O3N4C28H40 (1)
Stoich.:	A3B4C28D40 (1)
Weight, g/mol:	367.96304
ΔH_f, kcal/mol:	-97.8
Dipole, Da:	2.21
IP(EA), eV:	-9.03(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-4-fluorophenyl)methyl]-3-cyanobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=NOCC(=O)NCCC5=CN=CN5)CCC34C)C

DOS

IR

Vibrations