Geometry & MOs

Info

ID:	306563
PubChem CID:	125087466
Reduced:	ClSN3O4C25H34 (1)
Stoich.:	ABC3D4E25F34 (1)
Weight, g/mol:	583.227156
ΔH_f, kcal/mol:	-169.32
Dipole, Da:	8.81
IP(EA), eV:	-9.07(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(4-chlorophenyl)methyl-[2-(4-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N(CC(=O)N(CC2=CC(=CC=C2)Cl)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)C

DOS

IR

Vibrations