Geometry & MOs

Info

ID:	368683
PubChem CID:	127329820
Reduced:	SO2N4C17H28 (1)
Stoich.:	AB2C4D17E28 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-64.96
Dipole, Da:	6.03
IP(EA), eV:	-8.68(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[4-(2-methyl-4-oxo-1H-pyrimidin-6-yl)phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations