Geometry & MOs

Info

ID:

299023

PubChem CID:

117667846

Reduced:

ON5H17C21 (1)

Stoich.:

AB5C17D21 (1)

Weight, g/mol:

812.236163

ΔHf, kcal/mol:

69.13

Dipole, Da:

4.71

IP(EA), eV:

 -8.94(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethyl-3-[6-[(2R,3S)-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]pyridin-7-yl]-N-(2H-tetrazol-5-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1CC2=C(N=CC(=C2)C3=CN=CC(=C3)C4=CC=CC(=C4)C#N)N(C1)C(=O)N

DOS

IR

Vibrations