Geometry & MOs

Info

ID:

435061

PubChem CID:

135179388

Reduced:

NOC4H8 (2)

Stoich.:

ABC4D8 (2)

Weight, g/mol:

1556.70588

ΔHf, kcal/mol:

-107.48

Dipole, Da:

2.53

IP(EA), eV:

-9.24(0.98)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S,4R)-1-[(2S)-2-[3-[(3R,5S)-1-[(2S)-2-[5-[(3R,5S)-1-[(2S)-2-(2,2-dimethylpropanoylamino)-3,3-dimethylbutanoyl]-5-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]-3-methylbutanoyl]-5-[[4-(4-ethyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl]oxybutanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC(=O)N(C1O)CCNC

DOS

IR

Vibrations