Geometry & MOs

Info

ID:	158575
PubChem CID:	56464208
Reduced:	BrSN3O4C17H22 (1)
Stoich.:	ABC3D4E17F22 (1)
Weight, g/mol:	405.226371
ΔH_f, kcal/mol:	-144.38
Dipole, Da:	4.7
IP(EA), eV:	-9.24(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations