Geometry & MOs

Info

ID:	349242
PubChem CID:	127274968
Reduced:	SO2N5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	333.125946
ΔH_f, kcal/mol:	-10.81
Dipole, Da:	4.35
IP(EA), eV:	-9.07(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)CCC(=O)N2CCCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations