Geometry & MOs

Info

ID:	132129
PubChem CID:	51311157
Reduced:	F2O2N4H18C19 (1)
Stoich.:	A2B2C4D18E19 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-120.76
Dipole, Da:	5.38
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)CNC(=O)CCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations