Geometry & MOs

Info

ID:	70535
PubChem CID:	48413482
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	418.240248
ΔH_f, kcal/mol:	-70.66
Dipole, Da:	4.3
IP(EA), eV:	-8.64(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-3-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1=C(N=C2C=CC(=CC2=C1)OC)C

DOS

IR

Vibrations