Geometry & MOs

Info

ID:	143065
PubChem CID:	53142054
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	497.165224
ΔH_f, kcal/mol:	-4.61
Dipole, Da:	5.63
IP(EA), eV:	-8.86(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)CN1C(=O)N2C=CN=C(C2=N1)SC3=CC=CC=C3CC

DOS

IR

Vibrations