Geometry & MOs

Info

ID:	147793
PubChem CID:	53787451
Reduced:	C6O7H8 (1)
Stoich.:	A6B7C8 (1)
Weight, g/mol:	506.111619
ΔH_f, kcal/mol:	-253.44
Dipole, Da:	2.63
IP(EA), eV:	-11.21(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclohexylcarbamothioylsulfamoyl)phenyl]ethyl]-6-hydroxythieno[2,3-c]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

[C@H]1(C(=O)O1)[C@H]([C@@H]([C@@H](C(=O)O)O)O)O

DOS

IR

Vibrations