Geometry & MOs

Info

ID:	142545
PubChem CID:	53053858
Reduced:	SO3N6C18H26 (1)
Stoich.:	AB3C6D18E26 (1)
Weight, g/mol:	420.19436
ΔH_f, kcal/mol:	-56.35
Dipole, Da:	9.18
IP(EA), eV:	-8.98(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)propyl]-2-morpholin-4-yl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCNC(=O)C2=CC(=O)N=C3N2N=C(S3)N4CCOCC4

DOS

IR

Vibrations