Geometry & MOs

Info

ID:	34417
PubChem CID:	7966560
Reduced:	Cl2O2N3H17C20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	360.114378
ΔH_f, kcal/mol:	-20.16
Dipole, Da:	2.77
IP(EA), eV:	-9.42(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)OC3=NC=NC4=C3C=C(C=C4Cl)Cl

DOS

IR

Vibrations