Geometry & MOs

Info

ID:	127287
PubChem CID:	50997297
Reduced:	SN3O5C25H31 (1)
Stoich.:	AB3C5D25E31 (1)
Weight, g/mol:	314.058883
ΔH_f, kcal/mol:	-186.76
Dipole, Da:	9.81
IP(EA), eV:	-9.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(azepan-4-ylidene)-6-chloro-4H-1,4-benzoxazin-3-one;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2=CN=C(C=C2)C(=O)N3CCC4=C3C=CC(=C4)S(=O)(=O)C

DOS

IR

Vibrations