Geometry & MOs

Info

ID:	187330
PubChem CID:	77560302
Reduced:	FO4N5C23H30 (1)
Stoich.:	AB4C5D23E30 (1)
Weight, g/mol:	413.093309
ΔH_f, kcal/mol:	-184.34
Dipole, Da:	10.38
IP(EA), eV:	-9.26(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1,3-dihydroxy-4-(3-oxo-3-phenylprop-1-enyl)cyclohexa-2,5-dien-1-yl]-4-hydroxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NC)NC(=O)C1=C2CN(CCCN2C(=N1)C3=C(C(=CC=C3)C(=O)O)F)C

DOS

IR

Vibrations