Geometry & MOs

Info

ID:	44662
PubChem CID:	10505173
Reduced:	BrH25C32 (1)
Stoich.:	AB25C32 (1)
Weight, g/mol:	489.226371
ΔH_f, kcal/mol:	152.44
Dipole, Da:	2.67
IP(EA), eV:	-8.45(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S)-1-[[(S)-methoxy(phenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CC(=C1C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=C(CC5)C6=CC=C(C=C6)Br

DOS

IR

Vibrations