Geometry & MOs

Info

ID:

124862

PubChem CID:

50900163

Reduced:

SO2N3C21H23 (1)

Stoich.:

AB2C3D21E23 (1)

Weight, g/mol:

502.267902

ΔHf, kcal/mol:

11.32

Dipole, Da:

4.39

IP(EA), eV:

 -9.78(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[(E)-3-hydroxy-3-methylbut-1-enyl]-3-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3[C@@H](C2)C(=C([C@H]([C@H]3C4CC4)C#N)C#N)C

DOS

IR

Vibrations