Geometry & MOs

Info

ID:	216114
PubChem CID:	85085751
Reduced:	NOSH11C13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	229.088498
ΔH_f, kcal/mol:	50.19
Dipole, Da:	2.78
IP(EA), eV:	-8.6(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(dimethylamino)-3-(2-sulfanylidene-1,5-dihydroimidazol-5-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=NS(=O)C2=CC=CC=C2

DOS

IR

Vibrations