Geometry & MOs

Info

ID:	249344
PubChem CID:	103088782
Reduced:	NSC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	339.985147
ΔH_f, kcal/mol:	10.13
Dipole, Da:	3.55
IP(EA), eV:	-8.68(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichloro-3-fluorophenyl)sulfonyl-1,4-diazepan-2-one

Drug info:

PubChemData

Smile

CC1C2=C(CCN1C(CCCSC)CN)SC=C2

DOS

IR

Vibrations