Geometry & MOs

Info

ID:	414068
PubChem CID:	135087022
Reduced:	SN2O6C25H28 (1)
Stoich.:	AB2C6D25E28 (1)
Weight, g/mol:	259.095691
ΔH_f, kcal/mol:	-205.67
Dipole, Da:	5.55
IP(EA), eV:	-8.3(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC3=C(C2[C@H]4COC(O4)(C)C)NC5=CC=CC=C35)C(=O)OC

DOS

IR

Vibrations