Geometry & MOs

Info

ID:	38195
PubChem CID:	8027947
Reduced:	N2S2O6C15H15 (1)
Stoich.:	A2B2C6D15E15 (1)
Weight, g/mol:	423.168675
ΔH_f, kcal/mol:	-170.4
Dipole, Da:	3.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752432
Charge, e:	1

Chem-info

IUPAC name:

2-(4-butyl-6-chloro-2-oxochromen-7-yl)oxy-N-(2-morpholin-4-ium-4-ylethyl)acetamide

Drug info:

PubChemData

Smile

C1[C@H]2[C@H](CS1(=O)=O)SC(=NC(=O)COCC(=O)[O-])N2C3=CC=CC=C3

DOS

IR

Vibrations