Geometry & MOs

Info

ID:

299009

PubChem CID:

117667470

Reduced:

ON8C30H40 (1)

Stoich.:

AB8C30D40 (1)

Weight, g/mol:

709.09066

ΔHf, kcal/mol:

27.95

Dipole, Da:

2.86

IP(EA), eV:

 -8.13(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-chloro-6-[(2R,3R)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)C)C5=CC(=CC=C5)N

DOS

IR

Vibrations