Geometry & MOs

Info

ID:	131526
PubChem CID:	51221555
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	389.304228
ΔH_f, kcal/mol:	-120.88
Dipole, Da:	5.87
IP(EA), eV:	-8.73(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations