Geometry & MOs

Info

ID:	306612
PubChem CID:	125092468
Reduced:	SN3O5C31H37 (1)
Stoich.:	AB3C5D31E37 (1)
Weight, g/mol:	653.292343
ΔH_f, kcal/mol:	-147.99
Dipole, Da:	4.39
IP(EA), eV:	-8.94(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[benzyl-[2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N(CC(=O)N(CC2=CC=CC=C2)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCC4)S(=O)(=O)C

DOS

IR

Vibrations