Geometry & MOs

Info

ID:	244755
PubChem CID:	99381424
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	494.183316
ΔH_f, kcal/mol:	-173.17
Dipole, Da:	5.91
IP(EA), eV:	-9.47(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[3-(6-methyl-4-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanoyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)CC1=CC=CC(=C1)CNC(=O)CNC(=O)CC2CCCC2

DOS

IR

Vibrations