Geometry & MOs

Info

ID:	167582
PubChem CID:	74846743
Reduced:	N3O6C28H37 (1)
Stoich.:	A3B6C28D37 (1)
Weight, g/mol:	588.359694
ΔH_f, kcal/mol:	-229.76
Dipole, Da:	7.64
IP(EA), eV:	-9.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)N(CC=C)CC(=O)N(CC1=CC=CC=C1)CC2=COC3CCC(CC3C2=O)C

DOS

IR

Vibrations