Geometry & MOs

Info

ID:	193128
PubChem CID:	78348116
Reduced:	OSF2N6C20H20 (1)
Stoich.:	ABC2D6E20F20 (1)
Weight, g/mol:	368.20597
ΔH_f, kcal/mol:	-35.19
Dipole, Da:	4.6
IP(EA), eV:	-8.79(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CC1CC(NN1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations