Geometry & MOs

Info

ID:	244542
PubChem CID:	99364874
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	406.164105
ΔH_f, kcal/mol:	5.0
Dipole, Da:	4.5
IP(EA), eV:	-8.33(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-nitrophenyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SCCC(=O)NCC2=NOC(=C2)C3=CC=CC=C3)C

DOS

IR

Vibrations