Geometry & MOs

Info

ID:

443374

PubChem CID:

135258752

Reduced:

SO3N6C29H30 (1)

Stoich.:

AB3C6D29E30 (1)

Weight, g/mol:

479.162725

ΔHf, kcal/mol:

-2.16

Dipole, Da:

7.43

IP(EA), eV:

 -8.61(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (7S)-4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-6-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylate

Drug info:

PubChemData

Smile

CC#CC1CC1CNC(=O)[C@H]2CCC3=C(C2)SC4=NC=NC(=C34)NC5=CC(=C6C(=O)NC7(N6C5=O)CCC7)C

DOS

IR

Vibrations