Geometry & MOs

Info

ID:	75327
PubChem CID:	48423333
Reduced:	SN2O2C17H22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	402.179087
ΔH_f, kcal/mol:	-28.49
Dipole, Da:	6.7
IP(EA), eV:	-9.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-methoxy-3-(2-methoxyethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NCCSCC1=CC=CC=C1C#N)OCC2CC2

DOS

IR

Vibrations