Geometry & MOs

Info

ID:

45006

PubChem CID:

10507129

Reduced:

N4O6C31H38 (1)

Stoich.:

A4B6C31D38 (1)

Weight, g/mol:

562.279135

ΔHf, kcal/mol:

-230.9

Dipole, Da:

3.83

IP(EA), eV:

 -8.8(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[(2R)-2-[[[(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]-5-oxopyrrolidin-1-yl]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C(=C(NC(=O)N2C(=O)NCCCN3CCC(CC3)(C4=CC=CC=C4)C(=O)OC)C)C(=O)OC

DOS

IR

Vibrations