Geometry & MOs

Info

ID:	76802
PubChem CID:	48425404
Reduced:	SN4O6C16H24 (1)
Stoich.:	AB4C6D16E24 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-148.06
Dipole, Da:	5.21
IP(EA), eV:	-8.73(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C(CCSC)NC(=O)C1=CC=C(O1)[N+](=O)[O-]

DOS

IR

Vibrations