Geometry & MOs

Info

ID:	34871
PubChem CID:	7979035
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	393.112268
ΔH_f, kcal/mol:	-162.11
Dipole, Da:	4.76
IP(EA), eV:	-9.31(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-methyl-1-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]thiourea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations