Geometry & MOs

Info

ID:	164459
PubChem CID:	74403045
Reduced:	SN6O12C32H36 (1)
Stoich.:	AB6C12D32E36 (1)
Weight, g/mol:	411.121255
ΔH_f, kcal/mol:	-409.69
Dipole, Da:	8.34
IP(EA), eV:	-9.01(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(benzimidazol-1-yl)acetyl]amino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=C2NC(=O)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations