Geometry & MOs

Info

ID:

125204

PubChem CID:

50914957

Reduced:

ON3H18C19 (2)

Stoich.:

AB3C18D19 (2)

Weight, g/mol:

818.44007

ΔHf, kcal/mol:

76.59

Dipole, Da:

5.74

IP(EA), eV:

 -8.7(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-hexan-2-yl]-N-[2-[2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethylamino]ethyl]-3-[2-[4-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CC2=CC=CC=C2)C3=NC=C(N3)C#CC4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)CC7=CC=CC=C7

DOS

IR

Vibrations