Geometry & MOs

Info

ID:	126016
PubChem CID:	50948516
Reduced:	N6C21H28 (1)
Stoich.:	A6B21C28 (1)
Weight, g/mol:	357.089561
ΔH_f, kcal/mol:	79.39
Dipole, Da:	2.63
IP(EA), eV:	-8.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxopyrimidin-1-yl)-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC(CN1C=NC(=C1C2=NC=CN2)C3=CC=CC=C3)N4CCN(CC4)C

DOS

IR

Vibrations