Geometry & MOs

Info

ID:

414928

PubChem CID:

135087908

Reduced:

OSN3C17H21 (1)

Stoich.:

ABC3D17E21 (1)

Weight, g/mol:

721.305781

ΔHf, kcal/mol:

18.37

Dipole, Da:

4.25

IP(EA), eV:

-9.09(-0.5)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-(3-fluoro-5-methylbenzoyl)-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

CC1=NC=CN1C2=CC=CC=C2CNC(=O)CSCC3CC3

DOS

IR

Vibrations