Geometry & MOs

Info

ID:	219147
PubChem CID:	85090936
Reduced:	SN6O6C30H40 (1)
Stoich.:	AB6C6D30E40 (1)
Weight, g/mol:	614.102683
ΔH_f, kcal/mol:	-190.39
Dipole, Da:	7.11
IP(EA), eV:	-8.61(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[1-[4-[[(2-chloroacetyl)amino]carbamoyl]phenyl]-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenyl] benzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSCC(C(=O)N=[N+]=[N-])NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations