Geometry & MOs

Info

ID:

416631

PubChem CID:

135089853

Reduced:

ON6C19H32 (1)

Stoich.:

AB6C19D32 (1)

Weight, g/mol:

737.300696

ΔHf, kcal/mol:

-22.99

Dipole, Da:

2.62

IP(EA), eV:

 -8.36(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-(3-fluoro-4-methoxybenzoyl)-4,10,12-trimethyl-7-propan-2-yl-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

CN1CCC2(CC1)CN(CCN2C)C3=NC=CC(=N3)N4CCCC(C4)O

DOS

IR

Vibrations