Geometry & MOs

Info

ID:

443389

PubChem CID:

135258808

Reduced:

PN4O11C23H29 (1)

Stoich.:

AB4C11D23E29 (1)

Weight, g/mol:

549.134986

ΔHf, kcal/mol:

-447.75

Dipole, Da:

8.3

IP(EA), eV:

 -9.81(-0.6)

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'-cyclopentane]-6-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carbonyl]azetidine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C(=O)OCC)NP(=O)(OC[C@@H]1[C@H]([C@@](CO1)(N2C=NC(=C2O)C#N)O)O)OC3=CC=CC=C3

DOS

IR

Vibrations