Geometry & MOs

Info

ID:

322972

PubChem CID:

126671663

Reduced:

O2N3C31H51 (1)

Stoich.:

A2B3C31D51 (1)

Weight, g/mol:

1009.422184

ΔHf, kcal/mol:

-110.3

Dipole, Da:

3.99

IP(EA), eV:

 -8.66(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-[4-[3-[[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]propyl]piperazin-1-yl]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC=C1)OCCNC(C)(C)CCC(C)(C)C2=CC(=CC=C2)OCCNC(C)(C)C

DOS

IR

Vibrations