Geometry & MOs

Info

ID:	345356
PubChem CID:	127269656
Reduced:	O2F3N3C17H22 (1)
Stoich.:	A2B3C3D17E22 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-237.72
Dipole, Da:	7.6
IP(EA), eV:	-8.31(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-6-yl)-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)NCC3CCN(C3)CC(F)(F)F)OC1

DOS

IR

Vibrations