Geometry & MOs

Info

ID:	47321
PubChem CID:	10531528
Reduced:	N6O7C30H38 (1)
Stoich.:	A6B7C30D38 (1)
Weight, g/mol:	594.298139
ΔH_f, kcal/mol:	-254.92
Dipole, Da:	6.26
IP(EA), eV:	-8.94(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,3S,4R,5S)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl] butanoate

Drug info:

PubChemData

Smile

C1C[C@@H]2C(=O)NCC(=O)N([C@@H](C(=O)N[C@H](C(=O)N2C1)CC3=CC=C(C=C3)O)CCCN)C(=O)[C@H](CC4=CC=C(C=C4)O)N

DOS

IR

Vibrations