Geometry & MOs

Info

ID:	38261
PubChem CID:	8028531
Reduced:	NSO2C7H8 (2)
Stoich.:	ABC2D7E8 (2)
Weight, g/mol:	401.103
ΔH_f, kcal/mol:	-128.43
Dipole, Da:	5.93
IP(EA), eV:	-8.83(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC=C(C=C3)OC

DOS

IR

Vibrations