Geometry & MOs

Info

ID:	56629
PubChem CID:	17487250
Reduced:	ClFNO2S2H13C17 (1)
Stoich.:	ABCD2E2F13G17 (1)
Weight, g/mol:	381.135842
ΔH_f, kcal/mol:	-47.64
Dipole, Da:	3.71
IP(EA), eV:	-9.3(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)S(=O)(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3)Cl

DOS

IR

Vibrations