Geometry & MOs

Info

ID:

239768

PubChem CID:

93167003

Reduced:

SN3O3C29H41 (1)

Stoich.:

AB3C3D29E41 (1)

Weight, g/mol:

537.302513

ΔHf, kcal/mol:

-110.89

Dipole, Da:

2.33

IP(EA), eV:

 -8.48(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-(2-pyrrolidin-1-ylethyl)cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OC[C@@H]2C3=C(CCN2C(=O)CN(CCN4CCCC4)C(=O)C(C)C)SC=C3

DOS

IR

Vibrations