Geometry & MOs

Info

ID:	238303
PubChem CID:	92729960
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-151.12
Dipole, Da:	7.87
IP(EA), eV:	-9.23(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-butyl-1-[4-(thiophene-2-carbonylamino)benzoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CC=C(C=C1)C(=O)N2CCC[C@H]2C(=O)NCCCC

DOS

IR

Vibrations