Geometry & MOs

Info

ID:	155086
PubChem CID:	56320669
Reduced:	ClN2O2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	340.085719
ΔH_f, kcal/mol:	-30.07
Dipole, Da:	6.21
IP(EA), eV:	-9.08(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)C2=CC(=C(C=C2OC)N3C=CC=C3)Cl

DOS

IR

Vibrations