Geometry & MOs

Info

ID:	58055
PubChem CID:	24423770
Reduced:	ClS2N3O4C18H22 (1)
Stoich.:	AB2C3D4E18F22 (1)
Weight, g/mol:	282.093918
ΔH_f, kcal/mol:	-107.59
Dipole, Da:	9.8
IP(EA), eV:	-8.64(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-benzimidazol-2-yl)phenyl]-3-methylthiourea

Drug info:

PubChemData

Smile

CC(COC)NC(=S)NC1=CC(=C(C=C1)Cl)S(=O)(=O)NC2=CC=CC=C2OC

DOS

IR

Vibrations