Geometry & MOs

Info

ID:	49572
PubChem CID:	11533287
Reduced:	ClFNO6C25H27 (1)
Stoich.:	ABCD6E25F27 (1)
Weight, g/mol:	491.05144
ΔH_f, kcal/mol:	-266.89
Dipole, Da:	6.09
IP(EA), eV:	-9.36(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromothiophene-2-carbonyl)amino]-N-[4-(pyrrolidine-1-carbonyl)phenyl]oxolane-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(CO)N1C=C(C(=O)C2=C1C=C(C=C2)OCCCO)C(=O)OCC3=C(C(=CC=C3)Cl)F

DOS

IR

Vibrations