Geometry & MOs

Info

ID:	161961
PubChem CID:	57393181
Reduced:	NSO2C7H7 (2)
Stoich.:	ABC2D7E7 (2)
Weight, g/mol:	384.125612
ΔH_f, kcal/mol:	-79.08
Dipole, Da:	6.07
IP(EA), eV:	-8.94(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5E)-4-(1,3-benzodioxol-5-yl)-5-(4-methyl-3H-1,3-thiazol-2-ylidene)imidazol-2-yl]pentanamide

Drug info:

PubChemData

Smile

C1[C@H](N(CS1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NO

DOS

IR

Vibrations