Geometry & MOs

Info

ID:

418180

PubChem CID:

135103771

Reduced:

N5O7C28H43 (1)

Stoich.:

A5B7C28D43 (1)

Weight, g/mol:

746.33225

ΔHf, kcal/mol:

-329.51

Dipole, Da:

3.85

IP(EA), eV:

 -8.87(-0.21)

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-(3-methylimidazole-4-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

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC(=O)O)C(C)C

DOS

IR

Vibrations