Geometry & MOs

Info

ID:	61065
PubChem CID:	26705057
Reduced:	ClNSO4H12C15 (1)
Stoich.:	ABCD4E12F15 (1)
Weight, g/mol:	486.065235
ΔH_f, kcal/mol:	-114.34
Dipole, Da:	3.8
IP(EA), eV:	-9.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)NC(=O)[C@H]2CC3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations