Geometry & MOs

Info

ID:	178090
PubChem CID:	76275325
Reduced:	SN3O5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	-183.44
Dipole, Da:	10.26
IP(EA), eV:	-9.33(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(N-ethyl-2-methylanilino)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1(CCOCC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations