Geometry & MOs

Info

ID:	306644
PubChem CID:	125093254
Reduced:	ClSN3O4C32H38 (1)
Stoich.:	ABC3D4E32F38 (1)
Weight, g/mol:	509.17512
ΔH_f, kcal/mol:	-131.27
Dipole, Da:	9.61
IP(EA), eV:	-9.24(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(3-methoxy-N-methylsulfonylanilino)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CCCC(=O)N(CC1=CC=CC=C1)[C@H](CC2=CC=CC=C2)C(=O)NC3CCCC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations