Geometry & MOs

Info

ID:	34888
PubChem CID:	7979055
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	393.046939
ΔH_f, kcal/mol:	-161.39
Dipole, Da:	4.47
IP(EA), eV:	-9.3(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

CC(C)CNC(=O)COC(=O)[C@@H]1CS[C@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations