Geometry & MOs

Info

ID:

420839

PubChem CID:

135114911

Reduced:

O2N3C17H23 (1)

Stoich.:

A2B3C17D23 (1)

Weight, g/mol:

742.326102

ΔHf, kcal/mol:

-62.97

Dipole, Da:

3.21

IP(EA), eV:

 -9.2(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-15-[(2-oxo-1H-quinolin-3-yl)methyl]-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

CC1=C(N=CN1)CN(CCO)C(=O)CC(C)C2=CC=CC=C2

DOS

IR

Vibrations