Geometry & MOs

Info

ID:

443373

PubChem CID:

135258751

Reduced:

SO3N6C28H28 (1)

Stoich.:

AB3C6D28E28 (1)

Weight, g/mol:

542.21001

ΔHf, kcal/mol:

10.57

Dipole, Da:

7.89

IP(EA), eV:

 -8.48(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S)-4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-6-yl)amino]-N-[(2-prop-1-ynylcyclopropyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C6=C(C[C@H](CC6)C(=O)N7C[C@H]8CC89[C@@H]7C9)SC5=NC=N4)CCC3

DOS

IR

Vibrations