Geometry & MOs

Info

ID:	160040
PubChem CID:	57304415
Reduced:	IO4N5H24C28 (1)
Stoich.:	AB4C5D24E28 (1)
Weight, g/mol:	468.14337
ΔH_f, kcal/mol:	12.7
Dipole, Da:	2.03
IP(EA), eV:	-9.44(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[N-[4-[(2,5-dihydroxypyrrol-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

C1[C@H](O[C@H](C1N=[N+]=[N-])COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N5C=C(C(=O)NC5=O)I

DOS

IR

Vibrations