Geometry & MOs

Info

ID:	167578
PubChem CID:	74846345
Reduced:	ClFN2O5H22C24 (1)
Stoich.:	ABC2D5E22F24 (1)
Weight, g/mol:	453.262757
ΔH_f, kcal/mol:	-129.69
Dipole, Da:	10.16
IP(EA), eV:	-9.64(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[ethylcarbamoyl(prop-2-enyl)amino]-N-[(6-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)C(=CO2)CN(CC3=CC=C(C=C3)F)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

DOS

IR

Vibrations