Geometry & MOs

Info

ID:	236465
PubChem CID:	92713299
Reduced:	NSO3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-82.67
Dipole, Da:	4.61
IP(EA), eV:	-8.27(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC[C@@H](C2)C(=O)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations