Geometry & MOs

Info

ID:	167583
PubChem CID:	74846744
Reduced:	SN2O5C33H52 (1)
Stoich.:	AB2C5D33E52 (1)
Weight, g/mol:	617.255957
ΔH_f, kcal/mol:	-248.99
Dipole, Da:	9.13
IP(EA), eV:	-9.25(-0.59)
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-[oxolan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCS(=O)(=O)N(CCC(C)C)CC(=O)N(CC1=CC=CC=C1)CC2=COC3CCC(CC3C2=O)C

DOS

IR

Vibrations