Geometry & MOs

Info

ID:	68235
PubChem CID:	46508023
Reduced:	ClSN3O3C18H20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	347.141596
ΔH_f, kcal/mol:	-84.64
Dipole, Da:	0.81
IP(EA), eV:	-8.79(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=NC(=NC=C2Cl)SC)C

DOS

IR

Vibrations