Geometry & MOs

Info

ID:	346594
PubChem CID:	127271098
Reduced:	O4N5C17H25 (1)
Stoich.:	A4B5C17D25 (1)
Weight, g/mol:	399.182792
ΔH_f, kcal/mol:	-162.04
Dipole, Da:	2.95
IP(EA), eV:	-9.21(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(oxolan-2-yl)propan-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

DOS

IR

Vibrations