Geometry & MOs

Info

ID:	195204
PubChem CID:	78654593
Reduced:	N3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	354.071738
ΔH_f, kcal/mol:	-39.44
Dipole, Da:	8.62
IP(EA), eV:	-8.58(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-fluorophenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

DOS

IR

Vibrations