Geometry & MOs

Info

ID:	178019
PubChem CID:	76264498
Reduced:	O2S2F3N3H12C18 (1)
Stoich.:	A2B2C3D3E12F18 (1)
Weight, g/mol:	428.242356
ΔH_f, kcal/mol:	-105.57
Dipole, Da:	5.58
IP(EA), eV:	-8.94(-2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methyl-2-morpholin-4-yl-6-oxo-5H-pyrimidin-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)N=C3C=C(C=NC3=O)C(F)(F)F

DOS

IR

Vibrations