Geometry & MOs

Info

ID:	62962
PubChem CID:	26737808
Reduced:	FSN2O3H15C16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	370.072035
ΔH_f, kcal/mol:	-56.79
Dipole, Da:	5.91
IP(EA), eV:	-9.08(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(6-chloro-2H-chromen-3-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCSC2=CC=CC=C2F

DOS

IR

Vibrations