Geometry & MOs

Info

ID:	34826
PubChem CID:	7978976
Reduced:	SN2O3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-45.72
Dipole, Da:	6.53
IP(EA), eV:	-9.26(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-methyl-1-[[5-(phenoxymethyl)furan-2-carbonyl]amino]thiourea

Drug info:

PubChemData

Smile

C1C[C@]2(N(C1=O)[C@@H](CS2)C(=O)OCC3=CC(=CC=C3)C#N)C4=CC=CC=C4

DOS

IR

Vibrations