Geometry & MOs

Info

ID:	89381
PubChem CID:	49961316
Reduced:	O2S2N3H21C22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	407.130363
ΔH_f, kcal/mol:	6.57
Dipole, Da:	6.9
IP(EA), eV:	-8.82(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[methyl-[2-(2-phenylethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CS3

DOS

IR

Vibrations