Geometry & MOs

Info

ID:	74913
PubChem CID:	48422689
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	344.119464
ΔH_f, kcal/mol:	-53.56
Dipole, Da:	2.58
IP(EA), eV:	-8.47(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(4-methylsulfanylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)C(C)OCC2CC2

DOS

IR

Vibrations