Geometry & MOs

Info

ID:	140712
PubChem CID:	52744925
Reduced:	SN4O5C21H28 (1)
Stoich.:	AB4C5D21E28 (1)
Weight, g/mol:	414.215472
ΔH_f, kcal/mol:	-107.37
Dipole, Da:	6.81
IP(EA), eV:	-9.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,5-diethoxy-4-[[(2S)-2-ethoxybutanoyl]amino]phenyl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N[C@@H](CC(=O)N(C)C)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations