Geometry & MOs

Info

ID:

443394

PubChem CID:

135258838

Reduced:

N3O6C17H25 (1)

Stoich.:

A3B6C17D25 (1)

Weight, g/mol:

563.150637

ΔHf, kcal/mol:

-261.1

Dipole, Da:

7.9

IP(EA), eV:

 -9.38(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(7S)-4-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carbonyl]azetidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C(=O)NC(=O)C1=C(N(C=N1)C2CCC(O2)COC(=O)C(C)C)O

DOS

IR

Vibrations