Geometry & MOs

Info

ID:

81193

PubChem CID:

49854450

Reduced:

O2N7C31H45 (1)

Stoich.:

A2B7C31D45 (1)

Weight, g/mol:

547.363474

ΔHf, kcal/mol:

-26.31

Dipole, Da:

7.38

IP(EA), eV:

 -8.65(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-2-[[4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl]-8-pentan-3-yl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)N1CCC2(CC1)C[C@@H](N(C2)CC3=CC=C(C=C3)CN(CC4=NC=CN4)CC5=NC=CN5C)C(=O)O

DOS

IR

Vibrations