Geometry & MOs

Info

ID:	129770
PubChem CID:	51073791
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-72.82
Dipole, Da:	1.81
IP(EA), eV:	-8.77(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[(1-ethylbenzimidazol-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)N3CCC(CC3)O

DOS

IR

Vibrations