Geometry & MOs

Info

ID:	430813
PubChem CID:	135170880
Reduced:	ON3C25H33 (1)
Stoich.:	AB3C25D33 (1)
Weight, g/mol:	396.065904
ΔH_f, kcal/mol:	-10.23
Dipole, Da:	2.37
IP(EA), eV:	-8.58(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(5-chloro-2-methoxypyridin-3-yl)sulfanyl-methylamino]-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)N2CCC3=CC=CC=C3C2)C(=O)C4=CC(=C(N4)C)C=C

DOS

IR

Vibrations