Geometry & MOs

Info

ID:	219043
PubChem CID:	85090404
Reduced:	N2O2C16H19 (2)
Stoich.:	A2B2C16D19 (2)
Weight, g/mol:	542.267525
ΔH_f, kcal/mol:	-112.01
Dipole, Da:	6.78
IP(EA), eV:	-8.96(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-(4-methylpiperidin-1-yl)-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OC)C=C3C(=O)N(C(=O)N3CC4=CC=CC(=C4)C)CCCC

DOS

IR

Vibrations