Geometry & MOs

Info

ID:	56660
PubChem CID:	17505316
Reduced:	FSN2O2H15C17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	376.178693
ΔH_f, kcal/mol:	-53.26
Dipole, Da:	4.44
IP(EA), eV:	-8.83(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(O2)C3=CSC(=N3)C)F

DOS

IR

Vibrations