Geometry & MOs

Info

ID:	156594
PubChem CID:	56371285
Reduced:	SN2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	445.10091
ΔH_f, kcal/mol:	76.97
Dipole, Da:	6.93
IP(EA), eV:	-8.83(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC(=CS2)CSC3=NN=C(N3C)C(C)C

DOS

IR

Vibrations