Geometry & MOs

Info

ID:	167720
PubChem CID:	74863063
Reduced:	O3N4H16C19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	472.114002
ΔH_f, kcal/mol:	-3.81
Dipole, Da:	8.63
IP(EA), eV:	-9.32(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)N=CC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)OC

DOS

IR

Vibrations