Geometry & MOs

Info

ID:

423714

PubChem CID:

135120062

Reduced:

N5C22H25 (1)

Stoich.:

A5B22C25 (1)

Weight, g/mol:

756.341752

ΔHf, kcal/mol:

97.05

Dipole, Da:

2.17

IP(EA), eV:

 -8.63(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[(8-methoxyquinolin-2-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

CN1C=C(C=N1)CN2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations