Geometry & MOs

Info

ID:	131991
PubChem CID:	51287770
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	314.999989
ΔH_f, kcal/mol:	7.45
Dipole, Da:	4.98
IP(EA), eV:	-8.83(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dichloro-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=CC=C1)NC(=O)CSC2=NC=CC=N2

DOS

IR

Vibrations