Geometry & MOs

Info

ID:	157933
PubChem CID:	56459056
Reduced:	SO3N6C18H20 (1)
Stoich.:	AB3C6D18E20 (1)
Weight, g/mol:	423.082367
ΔH_f, kcal/mol:	-72.3
Dipole, Da:	3.43
IP(EA), eV:	-8.7(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C(=O)N)NC(=O)CCN2C=NC3=C(C2=O)C4=C(S3)CCCC4

DOS

IR

Vibrations