Geometry & MOs

Info

ID:	194139
PubChem CID:	78490475
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	364.10054
ΔH_f, kcal/mol:	-111.78
Dipole, Da:	4.27
IP(EA), eV:	-9.16(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamido-6-oxo-2-prop-2-ynylsulfanyl-1,3-diazinan-5-yl)-4-fluorobenzamide

Drug info:

PubChemData

Smile

CCC(=O)NC1C(C(=O)NC(N1)SC2CCCC2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations