Geometry & MOs

Info

ID:	430704
PubChem CID:	135170770
Reduced:	ClSN3O4H22C23 (1)
Stoich.:	ABC3D4E22F23 (1)
Weight, g/mol:	439.09687
ΔH_f, kcal/mol:	-71.82
Dipole, Da:	4.19
IP(EA), eV:	-8.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)SNC2=CC3=C(N=C2)OC[C@H](N(C3)C(=O)CO)C4=CC=CC=C4

DOS

IR

Vibrations