Geometry & MOs

Info

ID:	60960
PubChem CID:	26703644
Reduced:	ClN2O5H25C26 (1)
Stoich.:	AB2C5D25E26 (1)
Weight, g/mol:	315.102606
ΔH_f, kcal/mol:	-151.44
Dipole, Da:	9.02
IP(EA), eV:	-8.57(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6-chloro-N-(2-ethylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NCCCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations