Geometry & MOs

Info

ID:	433633
PubChem CID:	135173773
Reduced:	SN3O7H25C27 (1)
Stoich.:	AB3C7D25E27 (1)
Weight, g/mol:	503.151492
ΔH_f, kcal/mol:	-136.08
Dipole, Da:	5.24
IP(EA), eV:	-8.38(-1.1)
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]anilino]sulfanylphenyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC=CC(=C3)NC4=C(C(=O)C4=O)OC

DOS

IR

Vibrations