Geometry & MOs

Info

ID:	304988
PubChem CID:	124766401
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	535.181078
ΔH_f, kcal/mol:	-73.96
Dipole, Da:	1.3
IP(EA), eV:	-8.51(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]2C(=O)NCC4=CN=CC=C4)O3

DOS

IR

Vibrations