Geometry & MOs

Info

ID:

443358

PubChem CID:

135258712

Reduced:

SO3N6C25H26 (1)

Stoich.:

AB3C6D25E26 (1)

Weight, g/mol:

576.263108

ΔHf, kcal/mol:

-37.92

Dipole, Da:

5.89

IP(EA), eV:

 -8.51(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C6=C(C[C@H](CC6)C(=O)N7CCC7)SC5=NC=N4)CCC3

DOS

IR

Vibrations