Geometry & MOs

Info

ID:

319106

PubChem CID:

126654847

Reduced:

N2O3C74H98 (1)

Stoich.:

A2B3C74D98 (1)

Weight, g/mol:

1021.54256

ΔHf, kcal/mol:

-73.43

Dipole, Da:

5.53

IP(EA), eV:

 -8.49(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2S)-3,3-dimethyl-2-[[2-[3-[3-[4-[[2-[4,5,13-trimethyl-7-(4-methylphenyl)-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]phenoxy]propoxy]propoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[[4-(3-methyl-1H-pyrrol-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1C[C@H](N(C1)CC(CC(=C)CCCCCOCCCCCCCCCC2=CC=C(C=C2)CC(=O)CC3C4=CC=C(C4C5=C(C(=C(C5)C)C)C(=N3)C6=CC=C(C=C6)C)C)C(C)(C)C)C(=O)CCC7=CC=C(C=C7)C8=C(C=CC8)C

DOS

IR

Vibrations