Geometry & MOs

Info

ID:	157363
PubChem CID:	56423123
Reduced:	ClSN3O3H16C19 (1)
Stoich.:	ABC3D3E16F19 (1)
Weight, g/mol:	437.131031
ΔH_f, kcal/mol:	-34.8
Dipole, Da:	2.0
IP(EA), eV:	-8.96(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-diphenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C=C2Cl)CC(=O)NCC3=NC(=CS3)C4=CC=NC=C4

DOS

IR

Vibrations