Geometry & MOs

Info

ID:	146903
PubChem CID:	53769629
Reduced:	ClFO2N7C24H29 (1)
Stoich.:	ABC2D7E24F29 (1)
Weight, g/mol:	325.040024
ΔH_f, kcal/mol:	-85.16
Dipole, Da:	5.29
IP(EA), eV:	-8.67(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,2,4-triazol-1-yl)ethylideneamino] N-(4-chlorophenyl)sulfanyl-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations