Geometry & MOs

Info

ID:	34869
PubChem CID:	7979033
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	381.046939
ΔH_f, kcal/mol:	-166.85
Dipole, Da:	5.13
IP(EA), eV:	-9.3(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[[2-(2,4-dichlorophenyl)acetyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations