Geometry & MOs

Info

ID:

132876

PubChem CID:

51437664

Reduced:

S2O3N4C23H30 (1)

Stoich.:

A2B3C4D23E30 (1)

Weight, g/mol:

462.175933

ΔHf, kcal/mol:

-97.94

Dipole, Da:

7.88

IP(EA), eV:

 -8.85(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[3-(2-methoxyethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CCOC

DOS

IR

Vibrations