Geometry & MOs

Info

ID:

443359

PubChem CID:

135258713

Reduced:

SO3N8C29H36 (1)

Stoich.:

AB3C8D29E36 (1)

Weight, g/mol:

493.189609

ΔHf, kcal/mol:

-51.06

Dipole, Da:

5.89

IP(EA), eV:

 -8.59(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(7S)-7-(3-aminoazetidine-1-carbonyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione

Drug info:

PubChemData

Smile

CCCCC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C6=C(C[C@H](CC6)C(=O)N7CCNC(C7)C)SC5=NC=N4)CNC3

DOS

IR

Vibrations