Geometry & MOs

Info

ID:	417170
PubChem CID:	135091566
Reduced:	SO2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-0.96
Dipole, Da:	5.75
IP(EA), eV:	-8.92(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)N(CCN(C)C)CC1=CN=CN1)SC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations