Geometry & MOs

Info

ID:	135437
PubChem CID:	51870483
Reduced:	SN3O4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	366.053798
ΔH_f, kcal/mol:	-36.88
Dipole, Da:	6.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.829475
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(2,3-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations