Geometry & MOs

Info

ID:	34839
PubChem CID:	7978990
Reduced:	NSO3H21C24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	397.041853
ΔH_f, kcal/mol:	-60.2
Dipole, Da:	2.73
IP(EA), eV:	-8.91(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)[C@H](CS2)C(=O)OCC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations