Geometry & MOs

Info

ID:

419202

PubChem CID:

135107731

Reduced:

OSN3C14H17 (1)

Stoich.:

ABC3D14E17 (1)

Weight, g/mol:

721.305781

ΔHf, kcal/mol:

31.51

Dipole, Da:

2.71

IP(EA), eV:

-8.7(-0.57)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-(5-fluoro-2-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

CSC1=NC=C(C=N1)CN2CCCC2C3=CC=CO3

DOS

IR

Vibrations