Geometry & MOs

Info

ID:	176599
PubChem CID:	76070375
Reduced:	O3C18H22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	598.03555
ΔH_f, kcal/mol:	-108.05
Dipole, Da:	2.71
IP(EA), eV:	-9.14(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(2-bromo-4-fluorophenyl)-5-ethoxycarbonyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,4-dihydropyrimidin-2-yl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C=CC2C(CC3C2CC3=O)O)O)C

DOS

IR

Vibrations