Geometry & MOs

Info

ID:

416941

PubChem CID:

135090839

Reduced:

O2N4C21H26 (1)

Stoich.:

A2B4C21D26 (1)

Weight, g/mol:

747.316266

ΔHf, kcal/mol:

-43.62

Dipole, Da:

3.75

IP(EA), eV:

 -8.65(-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-15-(5-methyl-1,2-oxazole-3-carbonyl)-19-(2-methylpropyl)-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(C=CC(=C1)O)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C

DOS

IR

Vibrations