Geometry & MOs

Info

ID:	349251
PubChem CID:	127274977
Reduced:	SO2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	375.172896
ΔH_f, kcal/mol:	-9.51
Dipole, Da:	1.82
IP(EA), eV:	-9.03(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-5-[3-oxo-3-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]propyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)CC(=O)N3CCCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations