Geometry & MOs

Info

ID:	70188
PubChem CID:	47211587
Reduced:	OSN4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	272.098334
ΔH_f, kcal/mol:	13.51
Dipole, Da:	5.61
IP(EA), eV:	-8.64(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylcyclopropyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(=O)NCCNC2=NC=CC=N2

DOS

IR

Vibrations