Geometry & MOs

Info

ID:	306483
PubChem CID:	125082304
Reduced:	ClFSN3O5C28H37 (1)
Stoich.:	ABCD3E5F28G37 (1)
Weight, g/mol:	643.15157
ΔH_f, kcal/mol:	-257.58
Dipole, Da:	9.46
IP(EA), eV:	-8.97(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCCC1)N(CC2=CC=CC=C2F)C(=O)CCCN(C3=CC(=C(C=C3)OC)Cl)S(=O)(=O)C

DOS

IR

Vibrations