Geometry & MOs

Info

ID:	34885
PubChem CID:	7979052
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-163.88
Dipole, Da:	5.03
IP(EA), eV:	-9.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-methyl-1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]thiourea

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