Geometry & MOs

Info

ID:	433650
PubChem CID:	135173790
Reduced:	ClON8C36H39 (1)
Stoich.:	ABC8D36E39 (1)
Weight, g/mol:	484.141656
ΔH_f, kcal/mol:	67.26
Dipole, Da:	3.15
IP(EA), eV:	-8.27(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[[2-(dimethylamino)phenyl]carbamoylamino]phenyl]sulfamoyl]-4-methoxybenzoic acid

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)N=C(N2C)C(=O)NC3=CC=CC(=C3C)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)Cl

DOS

IR

Vibrations