Geometry & MOs

Info

ID:	34873
PubChem CID:	7979037
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	381.112268
ΔH_f, kcal/mol:	-160.0
Dipole, Da:	5.16
IP(EA), eV:	-9.32(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-methyl-1-[[2-[3-(trifluoromethyl)phenyl]acetyl]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