Geometry & MOs

Info

ID:

415218

PubChem CID:

135088210

Reduced:

N3O3C19H24 (2)

Stoich.:

A3B3C19D24 (2)

Weight, g/mol:

753.271146

ΔHf, kcal/mol:

-149.96

Dipole, Da:

2.08

IP(EA), eV:

 -8.82(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[(6-chloro-1,3-benzodioxol-5-yl)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

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N1)C(=O)C3=C(N=CC=C3)C)C)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations