Geometry & MOs

Info

ID:

419508

PubChem CID:

135108328

Reduced:

OSN4C19H24 (1)

Stoich.:

ABC4D19E24 (1)

Weight, g/mol:

761.357068

ΔHf, kcal/mol:

10.84

Dipole, Da:

4.55

IP(EA), eV:

 -8.57(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-15-[2-methyl-2-(4-methylphenoxy)propanoyl]-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

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CC4=CC=CS4

DOS

IR

Vibrations