Geometry & MOs

Info

ID:	167402
PubChem CID:	74820170
Reduced:	N2S3O5H26C32 (1)
Stoich.:	A2B3C5D26E32 (1)
Weight, g/mol:	509.112581
ΔH_f, kcal/mol:	-72.99
Dipole, Da:	3.78
IP(EA), eV:	-8.95(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyloxycyclobutane-1,1-dicarboxylate;cyclohexane-1,2-diamine;platinum(2+)

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C(=CC4=CC=C(C=C4)C5=CC=CC=C5O)SC3=S

DOS

IR

Vibrations