Geometry & MOs

Info

ID:	423011
PubChem CID:	135118760
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	370.156243
ΔH_f, kcal/mol:	34.97
Dipole, Da:	3.75
IP(EA), eV:	-8.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)CN3CCCC(C3)C(=O)C4=CC=CS4

DOS

IR

Vibrations