Geometry & MOs

Info

ID:	342524
PubChem CID:	127265679
Reduced:	SN3O3C17H17 (1)
Stoich.:	AB3C3D17E17 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	-29.73
Dipole, Da:	7.47
IP(EA), eV:	-8.95(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[2-[1-(2-methylpropyl)pyrazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C=C(C=N1)C=C2C(=O)NC(=CC(=O)C3=CC=CO3)S2

DOS

IR

Vibrations