Geometry & MOs

Info

ID:

443362

PubChem CID:

135258716

Reduced:

NOC8H9 (2)

Stoich.:

ABC8D9 (2)

Weight, g/mol:

515.173959

ΔHf, kcal/mol:

-68.75

Dipole, Da:

3.9

IP(EA), eV:

 -8.34(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(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-carbonyl]azetidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1N)C)NC2=CC=CC=C2C(=O)O)C

DOS

IR

Vibrations