Geometry & MOs

Info

ID:	305992
PubChem CID:	124999928
Reduced:	SO2N4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	456.192818
ΔH_f, kcal/mol:	7.01
Dipole, Da:	3.75
IP(EA), eV:	-8.48(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2R)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone

Drug info:

PubChemData

Smile

C1CN(C[C@H]1C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4)CC5=CC6=C(C=C5)NC=C6

DOS

IR

Vibrations