Geometry & MOs

Info

ID:

422050

PubChem CID:

135117090

Reduced:

N2O3C22H32 (1)

Stoich.:

A2B3C22D32 (1)

Weight, g/mol:

757.286938

ΔHf, kcal/mol:

-101.44

Dipole, Da:

1.42

IP(EA), eV:

 -7.96(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-7-propan-2-yl-15-[2-(trifluoromethyl)benzoyl]-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C3CCN(CC3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations