Geometry & MOs

Info

ID:

186809

PubChem CID:

77488435

Reduced:

FO5C16H19 (1)

Stoich.:

AB5C16D19 (1)

Weight, g/mol:

870.414998

ΔHf, kcal/mol:

-262.45

Dipole, Da:

2.34

IP(EA), eV:

 -9.15(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1CC(OC2=C1C=C(C=C2)F)C3COC(O3)(C)C

DOS

IR

Vibrations