Geometry & MOs

Info

ID:	192550
PubChem CID:	78285132
Reduced:	ClOSN5H16C17 (1)
Stoich.:	ABCD5E16F17 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	53.82
Dipole, Da:	7.23
IP(EA), eV:	-9.24(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethoxyphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NN=C(N2C)C3=CC=CC=C3

DOS

IR

Vibrations