Geometry & MOs

Info

ID:	359457
PubChem CID:	127298731
Reduced:	O2N5C21H39 (1)
Stoich.:	A2B5C21D39 (1)
Weight, g/mol:	381.160994
ΔH_f, kcal/mol:	-130.47
Dipole, Da:	4.19
IP(EA), eV:	-8.41(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)propanamide

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C)NC(=O)N2CCC(CC2)NC(=O)CC3CCCC3

DOS

IR

Vibrations