Geometry & MOs

Info

ID:

418995

PubChem CID:

135107289

Reduced:

N3O3C20H25 (1)

Stoich.:

A3B3C20D25 (1)

Weight, g/mol:

696.305367

ΔHf, kcal/mol:

-79.92

Dipole, Da:

4.76

IP(EA), eV:

 -8.75(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-15-[(2S)-5-oxopyrrolidine-2-carbonyl]-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(CCO)C1=CC=C(C=C1)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations