Geometry & MOs

Info

ID:	413777
PubChem CID:	135086727
Reduced:	FN4H12C13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	385.073242
ΔH_f, kcal/mol:	73.14
Dipole, Da:	4.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.244750
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-[1-[1-(benzenesulfonyl)-3-[(E)-2-nitroethenyl]indol-2-yl]ethylidene]hydroxylamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N=[N+]=[N-])C2=CC=[N+](C=C2)C

DOS

IR

Vibrations