Geometry & MOs

Info

ID:	189282
PubChem CID:	77837496
Reduced:	BrSiN2O4C19H26 (1)
Stoich.:	ABC2D4E19F26 (1)
Weight, g/mol:	391.210721
ΔH_f, kcal/mol:	-142.91
Dipole, Da:	3.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751935
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-anilino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(=O)N1C(C)(C)C)(NC(=O)C(C2=CC=CC=C2)Br)[Si](C)C

DOS

IR

Vibrations