Geometry & MOs

Info

ID:	349866
PubChem CID:	127276258
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	397.130757
ΔH_f, kcal/mol:	-118.12
Dipole, Da:	7.38
IP(EA), eV:	-8.41(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCCC3CN4CCCCC4

DOS

IR

Vibrations