Geometry & MOs

Info

ID:	181990
PubChem CID:	76823084
Reduced:	OF3N4H9C11 (1)
Stoich.:	AB3C4D9E11 (1)
Weight, g/mol:	597.341401
ΔH_f, kcal/mol:	-85.41
Dipole, Da:	4.02
IP(EA), eV:	-10.02(-2.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)N=C1C=C2C(=NC1=O)C=NC(=N2)C(F)(F)F

DOS

IR

Vibrations