Geometry & MOs

Info

ID:	34867
PubChem CID:	7979030
Reduced:	OSN3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	341.156184
ΔH_f, kcal/mol:	20.42
Dipole, Da:	1.83
IP(EA), eV:	-8.74(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-methyl-1-[[(3R)-3-phenylbutanoyl]amino]thiourea

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)NN(C)C(=S)NCC1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations