Geometry & MOs

Info

ID:

443356

PubChem CID:

135258709

Reduced:

SN2O7H38C40 (1)

Stoich.:

AB2C7D38E40 (1)

Weight, g/mol:

561.252209

ΔHf, kcal/mol:

-223.54

Dipole, Da:

0.73

IP(EA), eV:

 -8.5(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(7S)-7-[3-(dimethylamino)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC2=C(C3=C(C=C2)C(C4=C(C3(C)C)C(=C(C=C4)NC5=C(C=CC=C5C)C)C(=O)O)C6=CC=CC=C6S(=O)(=O)O)C(=O)O

DOS

IR

Vibrations