Geometry & MOs

Info

ID:	64226
PubChem CID:	29198582
Reduced:	S2N3O7C18H21 (1)
Stoich.:	A2B3C7D18E21 (1)
Weight, g/mol:	422.070321
ΔH_f, kcal/mol:	-236.9
Dipole, Da:	0.88
IP(EA), eV:	-10.26(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations