Geometry & MOs

Info

ID:	337408
PubChem CID:	127257093
Reduced:	NSO4C15H15 (1)
Stoich.:	ABC4D15E15 (1)
Weight, g/mol:	241.11365
ΔH_f, kcal/mol:	-123.63
Dipole, Da:	6.86
IP(EA), eV:	-9.55(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-2-ethylpentyl) thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(COC(=O)C2=CSC=C2)O

DOS

IR

Vibrations