Geometry & MOs

Info

ID:	281159
PubChem CID:	103910919
Reduced:	N2S2O3C14H18 (1)
Stoich.:	A2B2C3D14E18 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-73.86
Dipole, Da:	6.62
IP(EA), eV:	-9.18(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)S(=O)(=O)N)NCC(C2=CSC=C2)O

DOS

IR

Vibrations