Geometry & MOs

Info

ID:	32021
PubChem CID:	4253155
Reduced:	ClN2O4C25H25 (1)
Stoich.:	AB2C4D25E25 (1)
Weight, g/mol:	317.085242
ΔH_f, kcal/mol:	-112.28
Dipole, Da:	6.26
IP(EA), eV:	-8.58(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-chlorobutanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC(C)C(=O)NC3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations