Geometry & MOs

Info

ID:	150567
PubChem CID:	53790260
Reduced:	SN2O2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	674.316743
ΔH_f, kcal/mol:	-56.03
Dipole, Da:	7.3
IP(EA), eV:	-8.41(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-[2-[2-(4,4-diphenylpiperidin-1-yl)ethoxy]ethyl] 3-O-ethyl (4S)-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1(CC2=CC=CC=C2C1C3=C(NC(=S)N3)C(=O)OC)C

DOS

IR

Vibrations