Geometry & MOs

Info

ID:

322980

PubChem CID:

126671672

Reduced:

SN2O6C23H32 (1)

Stoich.:

AB2C6D23E32 (1)

Weight, g/mol:

1033.374565

ΔHf, kcal/mol:

-212.01

Dipole, Da:

3.06

IP(EA), eV:

 -8.39(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[[2-[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]phenoxy]butoxy]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=NOC(=C1C2=CC=CC=C2C(=O)OC)[C@H](CC(=O)OC(C)(C)C)N[S@@](=O)C(C)(C)C

DOS

IR

Vibrations