Geometry & MOs

Info

ID:	391053
PubChem CID:	135002520
Reduced:	NSO2C15H25 (1)
Stoich.:	ABC2D15E25 (1)
Weight, g/mol:	417.155178
ΔH_f, kcal/mol:	-98.52
Dipole, Da:	2.82
IP(EA), eV:	-8.42(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-1-(4-methoxyphenyl)-2-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(CCC(N1CC=C)OC)C(=O)SC(C)(C)C

DOS

IR

Vibrations