Geometry & MOs

Info

ID:	61497
PubChem CID:	26709961
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	491.12817
ΔH_f, kcal/mol:	-91.45
Dipole, Da:	9.51
IP(EA), eV:	-8.32(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)NC3=CC=CC=C3N4CCCC4=O

DOS

IR

Vibrations