Geometry & MOs

Info

ID:	162471
PubChem CID:	57394769
Reduced:	ClNO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	393.066442
ΔH_f, kcal/mol:	-30.97
Dipole, Da:	5.79
IP(EA), eV:	-9.12(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N)/C=C\C2=CC=C(C=C2)Cl

DOS

IR

Vibrations