Geometry & MOs

Info

ID:	131430
PubChem CID:	51204090
Reduced:	FOSN2C18H23 (1)
Stoich.:	ABCD2E18F23 (1)
Weight, g/mol:	396.099122
ΔH_f, kcal/mol:	-81.16
Dipole, Da:	4.62
IP(EA), eV:	-8.69(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(SC2=CC=CC(=C12)F)C(=O)NC3CCN(CC3)C(C)C

DOS

IR

Vibrations