Geometry & MOs

Info

ID:

320757

PubChem CID:

126663241

Reduced:

N15O15C64H89 (1)

Stoich.:

A15B15C64D89 (1)

Weight, g/mol:

610.351906

ΔHf, kcal/mol:

-521.75

Dipole, Da:

9.83

IP(EA), eV:

 -8.87(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[8-[3-(3,3-dimethyl-2-oxoindol-1-yl)propyl]-4-phenyl-1-oxa-2,4,8-triazaspiro[4.5]decan-2-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CN1[C@@H](C(=O)N[C@H](C(=O)NC(C(=O)NCC(=O)N[C@@]1(CC2=CC=C(C=C2)O)C=O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCNC(=O)C5=CC=C(C=C5)NC(=O)CCCCNC(CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)O

DOS

IR

Vibrations