Geometry & MOs

Info

ID:

421527

PubChem CID:

135116166

Reduced:

N2O5C19H26 (1)

Stoich.:

A2B5C19D26 (1)

Weight, g/mol:

757.337001

ΔHf, kcal/mol:

-198.45

Dipole, Da:

6.83

IP(EA), eV:

-8.85(0.1)

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-2-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

COCC1=C(C=CC(=C1)CN2CCC3(CC2)C(CC(=O)N3)C(=O)O)OC

DOS

IR

Vibrations