Geometry & MOs

Info

ID:	302327
PubChem CID:	124361252
Reduced:	N2O7C23H24 (1)
Stoich.:	A2B7C23D24 (1)
Weight, g/mol:	468.23727
ΔH_f, kcal/mol:	-257.1
Dipole, Da:	3.52
IP(EA), eV:	-9.04(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H]2CCC(=O)N2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations