Geometry & MOs

Info

ID:	170886
PubChem CID:	75292943
Reduced:	N2O2C11H11 (2)
Stoich.:	A2B2C11D11 (2)
Weight, g/mol:	418.131091
ΔH_f, kcal/mol:	-90.65
Dipole, Da:	2.05
IP(EA), eV:	-8.77(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-benzimidazol-5-yl]-3-(2-thiophen-2-ylethyl)urea

Drug info:

PubChemData

Smile

CC1(C(C(OC1N2C=C(C3=C(N=CN=C32)N)C4=CC=CC5=CC=CC=C54)CO)O)O

DOS

IR

Vibrations