Geometry & MOs

Info

ID:	185053
PubChem CID:	77247984
Reduced:	O2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	420.03187
ΔH_f, kcal/mol:	-65.76
Dipole, Da:	1.01
IP(EA), eV:	-8.04(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[6-(5-bromo-2,4-difluorophenyl)-6-methyl-4,5-dihydro-1,3-thiazin-2-yl]carbamate

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(O)O)CC=C4C3(C=CCC4)C

DOS

IR

Vibrations