Geometry & MOs

Info

ID:	192948
PubChem CID:	78326480
Reduced:	FN2O3C25H27 (1)
Stoich.:	AB2C3D25E27 (1)
Weight, g/mol:	611.230136
ΔH_f, kcal/mol:	-137.79
Dipole, Da:	7.15
IP(EA), eV:	-8.44(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(6-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]-2-[(4-nitrophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N(CC2=CC=C(C=C2)F)CC3=COC4CCCCC4C3=O

DOS

IR

Vibrations