Geometry & MOs

Info

ID:	37901
PubChem CID:	8025410
Reduced:	SO2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	398.176106
ΔH_f, kcal/mol:	-49.56
Dipole, Da:	2.49
IP(EA), eV:	-9.02(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminobutan-1-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(C(=O)N(C1=S)CC)C=N[C@@H](C)CCC2=CC=CC=C2

DOS

IR

Vibrations