Geometry & MOs

Info

ID:

81842

PubChem CID:

49855243

Reduced:

Cl2N4O5C35H44 (1)

Stoich.:

A2B4C5D35E44 (1)

Weight, g/mol:

926.442355

ΔHf, kcal/mol:

-207.75

Dipole, Da:

6.59

IP(EA), eV:

 -8.78(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cycloheptyl-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;2,2-difluoroacetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCCC(=O)NCCCCCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)O)N(CCCl)CCCl

DOS

IR

Vibrations