Geometry & MOs

Info

ID:	30754
PubChem CID:	841800
Reduced:	ClNO4C16H16 (1)
Stoich.:	ABC4D16E16 (1)
Weight, g/mol:	321.076786
ΔH_f, kcal/mol:	-149.52
Dipole, Da:	2.52
IP(EA), eV:	-9.42(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]chromene-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]([C@H]1CCCO1)NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=O

DOS

IR

Vibrations