Geometry & MOs

Info

ID:

185096

PubChem CID:

77254785

Reduced:

OC30H50 (1)

Stoich.:

AB30C50 (1)

Weight, g/mol:

836.293837

ΔHf, kcal/mol:

-108.38

Dipole, Da:

1.17

IP(EA), eV:

 -8.9(1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-[4-(9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl)benzoyl]piperidin-4-yl]-1-[(2-ethyltetrazol-5-yl)methyl]-6-(2-fluorophenyl)-4a,7a-dihydrothieno[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1(CCC2(CCC3(C(C2C1)CCC4C3(CCC5C4(CC=C(C5(C)C)O)C)C)C)C)C

DOS

IR

Vibrations