Geometry & MOs

Info

ID:	306581
PubChem CID:	125089234
Reduced:	BrSN3O4C25H34 (1)
Stoich.:	ABC3D4E25F34 (1)
Weight, g/mol:	553.241056
ΔH_f, kcal/mol:	-160.88
Dipole, Da:	9.48
IP(EA), eV:	-8.71(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-butan-2-yl]-2-[(4-fluorophenyl)methyl-[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H](CC)N(CC1=CC=C(C=C1)C)C(=O)CN(C2=CC=C(C=C2)Br)S(=O)(=O)C

DOS

IR

Vibrations