Geometry & MOs

Info

ID:	173632
PubChem CID:	75664078
Reduced:	SN4O4H17C21 (1)
Stoich.:	AB4C4D17E21 (1)
Weight, g/mol:	455.0065
ΔH_f, kcal/mol:	50.5
Dipole, Da:	7.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.338257
Charge, e:	-1

Chem-info

IUPAC name:

(4-bromophenyl)sulfonyl-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]azanide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C=N[N-]S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CC=CC=C41

DOS

IR

Vibrations