Geometry & MOs

Info

ID:	258378
PubChem CID:	103153346
Reduced:	BrNO5C14H18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	313.134779
ΔH_f, kcal/mol:	-201.41
Dipole, Da:	7.21
IP(EA), eV:	-9.48(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)CCOC1=CC=C(C=C1)Br

DOS

IR

Vibrations