Geometry & MOs

Info

ID:	219151
PubChem CID:	85091023
Reduced:	O2N3F6C33H41 (1)
Stoich.:	A2B3C6D33E41 (1)
Weight, g/mol:	628.00652
ΔH_f, kcal/mol:	-377.23
Dipole, Da:	6.85
IP(EA), eV:	-8.57(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzylsulfanyl-3-[[2-[[2-(2,4-dibromophenyl)acetyl]amino]-3-methylbutanoyl]amino]-4-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCOC2=CC=C(C=C2)C=CCN3CCC(CC3)CC(=O)NCC4=C(C=C(C=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations