Geometry & MOs

Info

ID:	167021
PubChem CID:	74766597
Reduced:	SO3N6C19H26 (1)
Stoich.:	AB3C6D19E26 (1)
Weight, g/mol:	381.112268
ΔH_f, kcal/mol:	-106.03
Dipole, Da:	5.85
IP(EA), eV:	-7.74(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-1,3-thiazol-4-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)C2=NC(=C(S2)NC3=CC=CC=N3)C(=O)N

DOS

IR

Vibrations