Geometry & MOs

Info

ID:	306580
PubChem CID:	125089230
Reduced:	ClSN3O4C24H32 (1)
Stoich.:	ABC3D4E24F32 (1)
Weight, g/mol:	551.14534
ΔH_f, kcal/mol:	-169.04
Dipole, Da:	5.83
IP(EA), eV:	-9.09(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(4-bromo-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-[(2S)-butan-2-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN([C@H](C)C(=O)NC(C)(C)C)C(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C

DOS

IR

Vibrations