Geometry & MOs

Info

ID:	430697
PubChem CID:	135170763
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	452.092119
ΔH_f, kcal/mol:	-7.72
Dipole, Da:	6.7
IP(EA), eV:	-8.52(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxolan-3-yl 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

CC1=C(C=CC2=NC=CN12)/C(=C/C=C(\C=C)/OC3CCN(CC3)C(=O)N(C)C)/C

DOS

IR

Vibrations