Geometry & MOs

Info

ID:	59426
PubChem CID:	24861551
Reduced:	F3O3N6H23C25 (1)
Stoich.:	A3B3C6D23E25 (1)
Weight, g/mol:	568.97464
ΔH_f, kcal/mol:	-192.08
Dipole, Da:	10.03
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromophenyl)-3-chloro-1-[3-(phenothiazin-10-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]azetidin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=NC(=O)N(C2=O)CC3=CC=C(C=C3)C(F)(F)F)NCC4=C(N=CC=C4)N

DOS

IR

Vibrations