Geometry & MOs

Info

ID:	156701
PubChem CID:	56371790
Reduced:	OCl2F2N2H14C16 (1)
Stoich.:	AB2C2D2E14F16 (1)
Weight, g/mol:	423.209282
ΔH_f, kcal/mol:	-124.26
Dipole, Da:	2.7
IP(EA), eV:	-9.15(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-anilinophenyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)NC2=CC=CC(=C2)C(F)F

DOS

IR

Vibrations