Geometry & MOs

Info

ID:	74453
PubChem CID:	48421898
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	378.107185
ΔH_f, kcal/mol:	-112.69
Dipole, Da:	1.11
IP(EA), eV:	-9.07(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C1=CC2=CC=CC=C2O1)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC

DOS

IR

Vibrations