Geometry & MOs

Info

ID:

234353

PubChem CID:

92298246

Reduced:

O3S3N4C25H30 (1)

Stoich.:

A3B3C4D25E30 (1)

Weight, g/mol:

572.194955

ΔHf, kcal/mol:

-76.01

Dipole, Da:

0.97

IP(EA), eV:

 -8.81(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(7S)-7-tert-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCC(CC5)C

DOS

IR

Vibrations