Geometry & MOs

Info

ID:

162171

PubChem CID:

57393828

Reduced:

O9C29H34 (1)

Stoich.:

A9B29C34 (1)

Weight, g/mol:

559.243084

ΔHf, kcal/mol:

-331.39

Dipole, Da:

2.25

IP(EA), eV:

 -8.65(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]-5-oxopentanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C[C@@H](CO)[C@@H](CC2=CC(=C(C=C2)O)OC)COC(=O)CC3=CC(=C(C=C3)O)OC)O

DOS

IR

Vibrations