Geometry & MOs

Info

ID:	194340
PubChem CID:	78518224
Reduced:	N3O5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	413.06192
ΔH_f, kcal/mol:	-153.45
Dipole, Da:	8.17
IP(EA), eV:	-9.5(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=C(C=C4)NC)[N+](=O)[O-]

DOS

IR

Vibrations