Geometry & MOs

Info

ID:

443357

PubChem CID:

135258710

Reduced:

SO3N7C29H35 (1)

Stoich.:

AB3C7D29E35 (1)

Weight, g/mol:

490.17871

ΔHf, kcal/mol:

-58.84

Dipole, Da:

6.76

IP(EA), eV:

 -8.43(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(7S)-7-(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'-cyclobutane]-1,5-dione

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C6=C(C[C@H](CC6)C(=O)N7CC(C7)N(C)C)SC5=NC=N4)CCCCC3

DOS

IR

Vibrations