Geometry & MOs

Info

ID:	175197
PubChem CID:	75865248
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	403.110296
ΔH_f, kcal/mol:	-126.29
Dipole, Da:	4.63
IP(EA), eV:	-9.7(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)OCC3CC(=O)N(C(=O)N3C)C

DOS

IR

Vibrations