Geometry & MOs

Info

ID:

322989

PubChem CID:

126671683

Reduced:

NOPH20C22 (1)

Stoich.:

ABCD20E22 (1)

Weight, g/mol:

1020.354164

ΔHf, kcal/mol:

46.85

Dipole, Da:

6.31

IP(EA), eV:

 -7.76(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[[2-[6-[2-[[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]ethoxy]pyridin-3-yl]oxyacetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C=C(/C=C\N=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O

DOS

IR

Vibrations