Geometry & MOs

Info

ID:	418414
PubChem CID:	135104588
Reduced:	SN7O7C35H51 (1)
Stoich.:	AB7C7D35E51 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-225.02
Dipole, Da:	6.14
IP(EA), eV:	-8.78(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CN(CC(=O)N1)C(=O)CCC2=C(ON=C2C)C)CC3=CC=CC=C3)C)CCSC)C(C)C

DOS

IR

Vibrations