Geometry & MOs

Info

ID:

419198

PubChem CID:

135107727

Reduced:

ON2C10H13 (2)

Stoich.:

AB2C10D13 (2)

Weight, g/mol:

726.331188

ΔHf, kcal/mol:

-46.41

Dipole, Da:

0.8

IP(EA), eV:

 -9.25(-0.19)

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-(quinolin-6-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

C1CCC(CC1)C2=C(C=NN2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC=CC=N4

DOS

IR

Vibrations