Geometry & MOs

Info

ID:

421308

PubChem CID:

135115763

Reduced:

N3O3C17H23 (1)

Stoich.:

A3B3C17D23 (1)

Weight, g/mol:

676.315538

ΔHf, kcal/mol:

-134.08

Dipole, Da:

2.88

IP(EA), eV:

 -9.13(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-7-propan-2-yl-15-(pyridin-4-ylmethyl)-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=CC=C(C(=O)N1)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C[C@@H]3C2)C

DOS

IR

Vibrations