Geometry & MOs

Info

ID:	143901
PubChem CID:	53278763
Reduced:	SN4O4C23H30 (1)
Stoich.:	AB4C4D23E30 (1)
Weight, g/mol:	315.1293
ΔH_f, kcal/mol:	-111.52
Dipole, Da:	5.82
IP(EA), eV:	-7.99(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)OC

DOS

IR

Vibrations