Geometry & MOs

Info

ID:	193129
PubChem CID:	78348117
Reduced:	N4O5C17H28 (1)
Stoich.:	A4B5C17D28 (1)
Weight, g/mol:	481.167142
ΔH_f, kcal/mol:	-254.37
Dipole, Da:	5.52
IP(EA), eV:	-10.03(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(2-methylphenoxy)ethoxy]-5-nitrophenyl]-2,3,4a,5,6,7,8,9a-octahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)CC(=O)NC(CO)C(=O)NCC2CCCCC2

DOS

IR

Vibrations