Geometry & MOs

Info

ID:	224066
PubChem CID:	85337751
Reduced:	SO3N4F6C22H26 (1)
Stoich.:	AB3C4D6E22F26 (1)
Weight, g/mol:	539.114539
ΔH_f, kcal/mol:	-373.62
Dipole, Da:	2.57
IP(EA), eV:	-8.84(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-amino-4,5-dichlorophenyl)-6-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-4,6-dioxohex-2-enoic acid;hydrochloride

Drug info:

PubChemData

Smile

CCCCNC1=NC=CC(=N1)N2CC(CC2COCC3=CC(=C(C=C3F)F)F)S.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations