Geometry & MOs

Info

ID:	423669
PubChem CID:	135119964
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	384.171893
ΔH_f, kcal/mol:	-71.02
Dipole, Da:	6.49
IP(EA), eV:	-8.47(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-(3-methoxy-4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)N2CCCN(CC2)C(=O)C3CCC3)C(=O)N

DOS

IR

Vibrations