Geometry & MOs

Info

ID:

239505

PubChem CID:

93166600

Reduced:

ClN2S2O3C26H29 (1)

Stoich.:

AB2C2D3E26F29 (1)

Weight, g/mol:

516.130813

ΔHf, kcal/mol:

-74.14

Dipole, Da:

2.24

IP(EA), eV:

 -8.96(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-N-[2-[(4S)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations