Geometry & MOs

Info

ID:	188186
PubChem CID:	77679981
Reduced:	NS2O3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	391.214744
ΔH_f, kcal/mol:	-113.74
Dipole, Da:	6.84
IP(EA), eV:	-8.72(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methoxy-2-[7-(3-methyl-3-piperidin-1-ylbut-1-ynyl)naphthalen-1-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1(CCC2=C(C1)SC3CC(CCC3C2=O)NS(=O)(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations