Geometry & MOs

Info

ID:	208025
PubChem CID:	80481805
Reduced:	NO2S2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	361.99359
ΔH_f, kcal/mol:	24.6
Dipole, Da:	3.97
IP(EA), eV:	-9.19(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3-bromothiophen-2-yl)methylcarbamoyl]morpholin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CSC=C1C(=O)NCC2=C(C=CS2)C#CCO

DOS

IR

Vibrations