Geometry & MOs

Info

ID:

314026

PubChem CID:

126619740

Reduced:

O2N3H15C24 (1)

Stoich.:

A2B3C15D24 (1)

Weight, g/mol:

1105.43208

ΔHf, kcal/mol:

105.42

Dipole, Da:

2.35

IP(EA), eV:

 -8.62(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[(2S)-2-[[2-[3-[3-[4-[1-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethyl]phenoxy]propoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C3=CC(=C4C(=C3)N(CC5=CC(=CC=C5)C2=NO1)C6=C4C=C(C=C6)O)C#N

DOS

IR

Vibrations