Geometry & MOs

Info

ID:

167584

PubChem CID:

74846745

Reduced:

SN3O6C34H39 (1)

Stoich.:

AB3C6D34E39 (1)

Weight, g/mol:

518.245058

ΔHf, kcal/mol:

-177.19

Dipole, Da:

8.81

IP(EA), eV:

 -9.13(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C(=O)C(=CO2)CN(CC3=CC=CC=C3)C(=O)CN(CC4CCCO4)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

DOS

IR

Vibrations