Geometry & MOs

Info

ID:

187801

PubChem CID:

77626794

Reduced:

N3O3C19H23 (1)

Stoich.:

A3B3C19D23 (1)

Weight, g/mol:

576.194165

ΔHf, kcal/mol:

8.77

Dipole, Da:

9.0

IP(EA), eV:

 -9.2(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-8-(4-fluorophenyl)-N,5-dimethyl-1-methylsulfonyl-3,5-dihydro-2H-furo[3,2-h][4,1]benzoxazepine-7-carboxamide

Drug info:

PubChemData

Smile

COCCC1=NC2=C(N1CC3CCOCC3)C4C=CC(=O)C=C4N=C2

DOS

IR

Vibrations