Geometry & MOs

Info

ID:	60654
PubChem CID:	26697352
Reduced:	N2S3O7C19H28 (1)
Stoich.:	A2B3C7D19E28 (1)
Weight, g/mol:	300.111007
ΔH_f, kcal/mol:	-287.3
Dipole, Da:	7.0
IP(EA), eV:	-8.55(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-5-(4-nitrophenyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N[C@@H](CCSC)C(=O)NC2CCCC2)C(=O)OC

DOS

IR

Vibrations