Geometry & MOs

Info

ID:	68987
PubChem CID:	46514794
Reduced:	NSO4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	488.198108
ΔH_f, kcal/mol:	-143.88
Dipole, Da:	2.18
IP(EA), eV:	-9.35(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoyl]amino]ethyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CCC(=O)NC(CC(=O)OC)C2=CC=CS2)C

DOS

IR

Vibrations