Geometry & MOs

Info

ID:	34866
PubChem CID:	7979028
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	341.156184
ΔH_f, kcal/mol:	-115.17
Dipole, Da:	6.72
IP(EA), eV:	-9.4(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)COC(=O)[C@@H]1CS[C@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations