Geometry & MOs

Info

ID:	142931
PubChem CID:	53118392
Reduced:	ON2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	439.133255
ΔH_f, kcal/mol:	7.9
Dipole, Da:	2.73
IP(EA), eV:	-8.74(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C=CN=C(C2=O)NC(=O)C3=CC=CC=N3)C

DOS

IR

Vibrations