Geometry & MOs

Info

ID:	61213
PubChem CID:	26707140
Reduced:	FN2O2H19C21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	422.9873
ΔH_f, kcal/mol:	-75.13
Dipole, Da:	5.22
IP(EA), eV:	-8.39(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N(C)CC(=O)NC2=CC=CC3=CC=CC=C32)F

DOS

IR

Vibrations