Geometry & MOs

Info

ID:	311312
PubChem CID:	126590393
Reduced:	OF2N3C30H33 (1)
Stoich.:	AB2C3D30E33 (1)
Weight, g/mol:	370.171499
ΔH_f, kcal/mol:	-75.16
Dipole, Da:	5.65
IP(EA), eV:	-9.05(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethylphenyl)methyl-(2-methoxyethyl)carbamothioyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CCC1=C(N=C(C(=C1N2CCC3(CC2)CC3(F)F)C4=CC=C(C=C4)C(=O)NCC5=CC=CC=C5)C)C

DOS

IR

Vibrations