Geometry & MOs

Info

ID:	29795
PubChem CID:	837362
Reduced:	ON2Cl3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	318.067428
ΔH_f, kcal/mol:	-75.41
Dipole, Da:	3.03
IP(EA), eV:	-8.66(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl-[5-(4-nitrophenyl)furan-2-yl]methanethione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N[C@H](C(Cl)(Cl)Cl)NC(=O)C(C)C

DOS

IR

Vibrations