Geometry & MOs

Info

ID:	174984
PubChem CID:	75841665
Reduced:	N5C21H30 (1)
Stoich.:	A5B21C30 (1)
Weight, g/mol:	384.07107
ΔH_f, kcal/mol:	86.34
Dipole, Da:	5.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.938753
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C=C(C=N2)C[NH2+]C(C)CC3=NNC(=C3)C

DOS

IR

Vibrations