Geometry & MOs

Info

ID:	306467
PubChem CID:	125081894
Reduced:	ClSN3O4C25H34 (1)
Stoich.:	ABC3D4E25F34 (1)
Weight, g/mol:	569.188183
ΔH_f, kcal/mol:	-165.55
Dipole, Da:	4.16
IP(EA), eV:	-9.31(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-tert-butyl-N-methylsulfonylanilino)acetyl]-[(2,4-dichlorophenyl)methyl]amino]propanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H](CC)N(CC1=CC=CC=C1C)C(=O)CN(C2=CC=CC=C2Cl)S(=O)(=O)C

DOS

IR

Vibrations