Geometry & MOs

Info

ID:	237222
PubChem CID:	92717929
Reduced:	ClNSO5H24C25 (1)
Stoich.:	ABCD5E24F25 (1)
Weight, g/mol:	485.106372
ΔH_f, kcal/mol:	-152.02
Dipole, Da:	6.24
IP(EA), eV:	-9.43(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)N[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations