Geometry & MOs

Info

ID:	404303
PubChem CID:	135065774
Reduced:	NO3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-86.61
Dipole, Da:	2.06
IP(EA), eV:	-8.26(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3R)-2-(benzhydrylideneamino)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C[C@H](C1=CC2=CC=CC=C2C=C1)NC3=CC=CC=C3O

DOS

IR

Vibrations