Geometry & MOs

Info

ID:

417069

PubChem CID:

135091247

Reduced:

N6O7C37H52 (1)

Stoich.:

A6B7C37D52 (1)

Weight, g/mol:

790.293088

ΔHf, kcal/mol:

-229.4

Dipole, Da:

4.81

IP(EA), eV:

 -8.67(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,10S,19S)-15-(5-acetylthiophene-2-carbonyl)-4-(1H-indol-3-ylmethyl)-6,10,12-trimethyl-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

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)[C@@H]4CCCNC4

DOS

IR

Vibrations