Geometry & MOs

Info

ID:

314022

PubChem CID:

126619689

Reduced:

SN2O3C17H22 (1)

Stoich.:

AB2C3D17E22 (1)

Weight, g/mol:

1029.424102

ΔHf, kcal/mol:

-113.34

Dipole, Da:

3.33

IP(EA), eV:

 -9.32(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[[2-[2-[3-[4-[(9S)-9-(2-anilino-2-oxoethyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-7-yl]phenoxy]propoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)C(CO)NC(=O)OC(C)(C)C

DOS

IR

Vibrations