Geometry & MOs

Info

ID:

420699

PubChem CID:

135114679

Reduced:

O2N4C15H22 (1)

Stoich.:

A2B4C15D22 (1)

Weight, g/mol:

757.337001

ΔHf, kcal/mol:

-45.4

Dipole, Da:

4.37

IP(EA), eV:

-9.09(0.28)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,10S,19S)-4-(1H-indol-3-ylmethyl)-6,10,12-trimethyl-19-(2-methylpropyl)-15-(6-methylpyridine-3-carbonyl)-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

CCCC(C(=O)N(CCO)CC1=NC=CN1)N2C=CC=C2

DOS

IR

Vibrations