Geometry & MOs

Info

ID:	379225
PubChem CID:	134356847
Reduced:	NOC17H17 (1)
Stoich.:	ABC17D17 (1)
Weight, g/mol:	440.140593
ΔH_f, kcal/mol:	27.82
Dipole, Da:	2.45
IP(EA), eV:	-8.26(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)-N-pyridin-4-ylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C3=CC=CC=C3O2)C(=C)N(C)C

DOS

IR

Vibrations