Geometry & MOs

Info

ID:	369635
PubChem CID:	127334965
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	392.176979
ΔH_f, kcal/mol:	-134.35
Dipole, Da:	5.2
IP(EA), eV:	-9.17(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butanoyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)(CNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3)O

DOS

IR

Vibrations