Geometry & MOs

Info

ID:

239777

PubChem CID:

93167015

Reduced:

N2S2O3C28H34 (1)

Stoich.:

A2B2C3D28E34 (1)

Weight, g/mol:

510.201085

ΔHf, kcal/mol:

-73.68

Dipole, Da:

7.05

IP(EA), eV:

 -8.95(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-methylpropyl)-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN(CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)C(C)C)C=CS2)C(=O)C4=CC=CS4

DOS

IR

Vibrations