Geometry & MOs

Info

ID:	75325
PubChem CID:	48423331
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-102.92
Dipole, Da:	4.34
IP(EA), eV:	-8.64(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NCC1CC2=CC=CC=C2OC1)OCC3CC3

DOS

IR

Vibrations