Geometry & MOs

Info

ID:	67431
PubChem CID:	46506468
Reduced:	SN4O6H26C27 (1)
Stoich.:	AB4C6D26E27 (1)
Weight, g/mol:	498.091929
ΔH_f, kcal/mol:	-176.71
Dipole, Da:	4.8
IP(EA), eV:	-8.63(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[8-methoxy-3-(4-methylphenyl)sulfonylchromen-2-ylidene]amino]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC(=O)NC4=CC=C(C=C4)OC)C5=CC=CC=C5

DOS

IR

Vibrations