Geometry & MOs

Info

ID:	132677
PubChem CID:	51399291
Reduced:	NO4C29H33 (1)
Stoich.:	AB4C29D33 (1)
Weight, g/mol:	413.091966
ΔH_f, kcal/mol:	-132.34
Dipole, Da:	7.61
IP(EA), eV:	-8.47(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(6S)-6-[(2-methoxy-4-nitrophenyl)carbamoyl]-2-(4-methylphenyl)imino-5,6-dihydro-1,3-thiazin-4-olate

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC=C1[C@H]2C3=C(CCCC3=O)NC(=C2C(=O)OCCC4=CC=CC=C4)C

DOS

IR

Vibrations