Geometry & MOs

Info

ID:	34793
PubChem CID:	7978942
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	407.03031
ΔH_f, kcal/mol:	-142.5
Dipole, Da:	3.69
IP(EA), eV:	-8.91(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations