Geometry & MOs

Info

ID:

239496

PubChem CID:

93166583

Reduced:

ClFSN2O3C27H28 (1)

Stoich.:

ABCD2E3F27G28 (1)

Weight, g/mol:

514.14932

ΔHf, kcal/mol:

-110.46

Dipole, Da:

4.64

IP(EA), eV:

 -9.01(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4R)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@@H]2C3=C(CCN2C(=O)CN(C(C)C)C(=O)C4=CC(=CC=C4)F)SC=C3)Cl

DOS

IR

Vibrations