Geometry & MOs

Info

ID:

443386

PubChem CID:

135258804

Reduced:

PN4O12C31H39 (1)

Stoich.:

AB4C12D31E39 (1)

Weight, g/mol:

509.155532

ΔHf, kcal/mol:

-522.57

Dipole, Da:

5.28

IP(EA), eV:

 -9.41(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(7S)-7-acetyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-8-butylspiro[2H-imidazo[1,5-a]pyridine-3,3'-thietane]-1,5-dione

Drug info:

PubChemData

Smile

CC(C)CCOC(=O)[C@H](CC(=O)OCC1=CC=CC=C1)NP(=O)(OC[C@@H]2[C@H]([C@H](C(O2)N3C=NC(=C3O)C(=O)N)O)O)OC4=CC=CC=C4

DOS

IR

Vibrations