Geometry & MOs

Info

ID:	423265
PubChem CID:	135119212
Reduced:	SO2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	334.156039
ΔH_f, kcal/mol:	-35.17
Dipole, Da:	5.34
IP(EA), eV:	-8.56(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-methylphenyl)-2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(C=C2C)SCCC(=O)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations