Geometry & MOs

Info

ID:	433613
PubChem CID:	135173753
Reduced:	FN6C33H33 (1)
Stoich.:	AB6C33D33 (1)
Weight, g/mol:	515.187878
ΔH_f, kcal/mol:	86.02
Dipole, Da:	1.31
IP(EA), eV:	-8.4(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[3-(benzylamino)phenyl]sulfamoyl]-4-methoxyphenyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CCC(C)C1=CN=C(C=C1)C(=C)NC2=CC=CC(=C2F)C3=C(C(=CC=C3)NC4=NC=CC5=CC(=CN=C54)CN)C

DOS

IR

Vibrations