Geometry & MOs

Info

ID:	339755
PubChem CID:	127261757
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	355.099063
ΔH_f, kcal/mol:	36.75
Dipole, Da:	4.29
IP(EA), eV:	-8.06(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2Z)-3-methyl-2-[nitro(phenylsulfanyl)methylidene]imidazolidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1CC(=CC=C1)CN2CN3C(=C2)NC4=CC=CC=C4C3=O

DOS

IR

Vibrations