Geometry & MOs

Info

ID:	242714
PubChem CID:	99008654
Reduced:	ClO2F3N3H19C21 (1)
Stoich.:	AB2C3D3E19F21 (1)
Weight, g/mol:	439.191877
ΔH_f, kcal/mol:	-165.61
Dipole, Da:	4.94
IP(EA), eV:	-8.99(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[2-(difluoromethoxy)benzoyl]-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)[C@H](C)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations