Geometry & MOs

Info

ID:	178598
PubChem CID:	76354074
Reduced:	ClS2N3O3C23H24 (1)
Stoich.:	AB2C3D3E23F24 (1)
Weight, g/mol:	381.099252
ΔH_f, kcal/mol:	-53.96
Dipole, Da:	6.34
IP(EA), eV:	-8.95(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CCCCNC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations