Geometry & MOs

Info

ID:	188652
PubChem CID:	77748503
Reduced:	ON4H20C21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	638.119118
ΔH_f, kcal/mol:	71.56
Dipole, Da:	2.06
IP(EA), eV:	-8.78(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(3,4-dichlorophenyl)methyl]pyrrolidin-2-yl]-1-methylsulfonylethyl]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CN1C(=CN=C1C(CC2=CC=CC=N2)N)C3=CC=C(C=C3)C4=CC=CO4

DOS

IR

Vibrations