Geometry & MOs

Info

ID:

52720

PubChem CID:

12015769

Reduced:

SN3O5C38H41 (1)

Stoich.:

AB3C5D38E41 (1)

Weight, g/mol:

737.415235

ΔHf, kcal/mol:

-95.56

Dipole, Da:

4.32

IP(EA), eV:

 -8.22(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2R,3S)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-(1H-indol-3-yl)butanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2CN3CCC4=CC(=C(C=C4[C@H]([C@H]3C2=NC(=C1N5CCOCC5)CC6=CC=CC=C6)SC7=CC=CC=C7)OC)OC

DOS

IR

Vibrations