Geometry & MOs

Info

ID:

416719

PubChem CID:

135090172

Reduced:

O3N5C21H23 (1)

Stoich.:

A3B5C21D23 (1)

Weight, g/mol:

711.301445

ΔHf, kcal/mol:

-14.08

Dipole, Da:

0.28

IP(EA), eV:

 -9.89(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[(2,4-difluorophenyl)methyl]-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

C1[C@H]([C@@H](CO1)NC(=O)CCCC2=NC(=NO2)C3=CC=NC=C3)CC4=CC=NC=C4

DOS

IR

Vibrations