Geometry & MOs

Info

ID:	188690
PubChem CID:	77754157
Reduced:	F2N5O5C29H33 (1)
Stoich.:	A2B5C5D29E33 (1)
Weight, g/mol:	433.09224
ΔH_f, kcal/mol:	-250.56
Dipole, Da:	5.69
IP(EA), eV:	-8.74(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[5-(5-bromopentyl)thiophen-2-yl]amino]pentanedioate

Drug info:

PubChemData

Smile

COCC1=C(C(N(C(=O)N1)C(=O)NC2CCN(C2)C3CCC(CC3)C4=CC=CC=N4)C5=CC(=C(C=C5)F)F)C(=O)O

DOS

IR

Vibrations