Geometry & MOs

Info

ID:	161649
PubChem CID:	57392249
Reduced:	S2N3O11C21H27 (1)
Stoich.:	A2B3C11D21E27 (1)
Weight, g/mol:	393.066442
ΔH_f, kcal/mol:	-452.27
Dipole, Da:	6.88
IP(EA), eV:	-9.12(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-sulfamoylphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations