Geometry & MOs

Info

ID:	181612
PubChem CID:	76766081
Reduced:	NSCl2O5C21H21 (1)
Stoich.:	ABC2D5E21F21 (1)
Weight, g/mol:	485.171749
ΔH_f, kcal/mol:	-180.64
Dipole, Da:	7.5
IP(EA), eV:	-9.08(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(5-chloro-2-methoxyphenyl)methyl]-2,6-dioxoazepan-1-yl]-2-ethyl-4-oxo-N-pyridin-2-ylbutanamide

Drug info:

PubChemData

Smile

CC1CC(=O)CN(C(=O)C1CC2=C(C=CC(=C2)Cl)OC)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations