Geometry & MOs

Info

ID:	34498
PubChem CID:	7978569
Reduced:	ClN3O3C12H18 (1)
Stoich.:	AB3C3D12E18 (1)
Weight, g/mol:	342.140199
ΔH_f, kcal/mol:	-126.52
Dipole, Da:	7.35
IP(EA), eV:	-10.02(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)O[C@H](C)C(=O)N)Cl

DOS

IR

Vibrations