Geometry & MOs

Info

ID:	233797
PubChem CID:	92098485
Reduced:	SN3O5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	435.146407
ΔH_f, kcal/mol:	-149.97
Dipole, Da:	5.53
IP(EA), eV:	-9.11(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Drug info:

PubChemData

Smile

COC1=CN=CC(=N1)OC2CCC(CC2)NS(=O)(=O)CCOC3=CC=CC=C3

DOS

IR

Vibrations