Geometry & MOs

Info

ID:

416151

PubChem CID:

135089159

Reduced:

O8N9C39H51 (1)

Stoich.:

A8B9C39D51 (1)

Weight, g/mol:

376.236208

ΔHf, kcal/mol:

-270.8

Dipole, Da:

5.64

IP(EA), eV:

 -9.4(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)hexan-1-one

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)CCCC3=NC(=NO3)C4=CN=CC=C4)CC5=CC=CC=C5)[C@@H](C)O

DOS

IR

Vibrations