Geometry & MOs

Info

ID:	430707
PubChem CID:	135170773
Reduced:	ON3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	454.107769
ΔH_f, kcal/mol:	0.56
Dipole, Da:	3.34
IP(EA), eV:	-8.88(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=CC=CC=N3

DOS

IR

Vibrations