Geometry & MOs

Info

ID:	433632
PubChem CID:	135173772
Reduced:	ClOSN7C35H36 (1)
Stoich.:	ABCD7E35F36 (1)
Weight, g/mol:	535.141321
ΔH_f, kcal/mol:	92.51
Dipole, Da:	6.53
IP(EA), eV:	-8.34(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methoxy-3-[[3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]phenyl]sulfamoyl]phenyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(S2)CN(C3)C(=O)CN(C)C)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)Cl

DOS

IR

Vibrations