Geometry & MOs

Info

ID:	129114
PubChem CID:	51070952
Reduced:	ClSN2O2C17H19 (1)
Stoich.:	ABC2D2E17F19 (1)
Weight, g/mol:	462.982814
ΔH_f, kcal/mol:	-70.93
Dipole, Da:	4.14
IP(EA), eV:	-8.86(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-chlorophenyl)-2-(2,5-dichlorophenyl)pyrazol-3-yl]-4-methylthiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCCN1C(=O)/C=C/2\C(=O)NC3=C(S2)C=CC(=C3)Cl

DOS

IR

Vibrations