Geometry & MOs

Info

ID:	61337
PubChem CID:	26708252
Reduced:	SO2N3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	467.187878
ΔH_f, kcal/mol:	46.62
Dipole, Da:	3.55
IP(EA), eV:	-9.26(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)CCC3=NC(=NO3)C4=CSC=C4

DOS

IR

Vibrations