Geometry & MOs

Info

ID:	431030
PubChem CID:	135171100
Reduced:	FO2N4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	426.076469
ΔH_f, kcal/mol:	-57.59
Dipole, Da:	3.28
IP(EA), eV:	-8.69(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl 7-[(5-chloro-2-methoxypyridin-3-yl)sulfanylamino]-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=C(C3=CC=CC=C3O2)C)C(=O)C4=NC5=C(N4)C=C(C=C5)F

DOS

IR

Vibrations