Geometry & MOs

Info

ID:	160937
PubChem CID:	57390306
Reduced:	SO2N4C31H32 (1)
Stoich.:	AB2C4D31E32 (1)
Weight, g/mol:	348.089226
ΔH_f, kcal/mol:	53.03
Dipole, Da:	1.34
IP(EA), eV:	-8.45(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(diaminomethylideneamino)sulfonylphenyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2C3CCCC(C3=NNC4=NC(=CS4)C5=CC=CC=C5)[C@H](N2)C6=CC=C(C=C6)OC

DOS

IR

Vibrations