Geometry & MOs

Info

ID:

164863

PubChem CID:

74462325

Reduced:

OCl2F3N4H19C21 (1)

Stoich.:

AB2C3D4E19F21 (1)

Weight, g/mol:

493.206899

ΔHf, kcal/mol:

-142.21

Dipole, Da:

3.56

IP(EA), eV:

 -9.12(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[6-methyl-5-(2-methylbutyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CC(N3C(=N2)CC(N3)C(=O)NC4=C(C=CC=C4Cl)Cl)C(F)(F)F

DOS

IR

Vibrations