Geometry & MOs

Info

ID:

322976

PubChem CID:

126671668

Reduced:

ClS2O8N10C58H71 (1)

Stoich.:

AB2C8D10E58F71 (1)

Weight, g/mol:

983.425148

ΔHf, kcal/mol:

-184.06

Dipole, Da:

8.67

IP(EA), eV:

 -8.44(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[2-[3-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]propoxy]ethoxy]carbazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)N[C@@H](C)C4=CC=C(C=C4)OCCCOCCOCC(=O)NC(C(=O)N5C[C@@H](C[C@H]5C(=O)N[C@H](CNC)C6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C)C8=CC=C(C=C8)Cl)C

DOS

IR

Vibrations