Geometry & MOs

Info

ID:	189096
PubChem CID:	77818007
Reduced:	FSN2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	477.237604
ΔH_f, kcal/mol:	-58.24
Dipole, Da:	4.49
IP(EA), eV:	-8.98(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-methoxy-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=NC(=O)C(C=C1C(=O)CSC2=CC=CC(=C2)F)N

DOS

IR

Vibrations