Geometry & MOs

Info

ID:	218940
PubChem CID:	85090208
Reduced:	SN2O6C28H40 (1)
Stoich.:	AB2C6D28E40 (1)
Weight, g/mol:	530.97541
ΔH_f, kcal/mol:	-280.67
Dipole, Da:	8.42
IP(EA), eV:	-9.1(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 2-[2-[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]sulfanyl-4-oxo-3-(2-oxopropyl)azetidin-1-yl]-2-oxoacetate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)NC(CCC(=O)O)C(=O)O)CS(=O)(=O)N3CCC4(CCC5=CC=CC=C54)CC3)C

DOS

IR

Vibrations