Geometry & MOs

Info

ID:	155428
PubChem CID:	56355138
Reduced:	N3O5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	456.165369
ΔH_f, kcal/mol:	-71.06
Dipole, Da:	9.17
IP(EA), eV:	-8.06(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[ethyl(methyl)amino]phenyl]-3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

CCN(C)C1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

DOS

IR

Vibrations