Geometry & MOs

Info

ID:	84128
PubChem CID:	49864365
Reduced:	FN3O5C21H26 (1)
Stoich.:	AB3C5D21E26 (1)
Weight, g/mol:	324.190989
ΔH_f, kcal/mol:	-254.69
Dipole, Da:	6.57
IP(EA), eV:	-8.72(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](CC(=O)NCCC1=CNC2=C1C=C(C=C2)F)C(=O)N[C@@H](CC(=O)O)C=O

DOS

IR

Vibrations