Geometry & MOs

Info

ID:	244040
PubChem CID:	99309448
Reduced:	SO3N4C24H26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	469.200156
ΔH_f, kcal/mol:	-57.32
Dipole, Da:	4.95
IP(EA), eV:	-8.93(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)NC3CCN(CC3)C(=O)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations