Geometry & MOs

Info

ID:	308140
PubChem CID:	125317124
Reduced:	O2N7C17H19 (1)
Stoich.:	A2B7C17D19 (1)
Weight, g/mol:	505.161782
ΔH_f, kcal/mol:	42.65
Dipole, Da:	3.27
IP(EA), eV:	-8.65(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-4-methylsulfanyl-2-[[(3S,5R)-1,3,4,5-tetraacetyloxycyclohexanecarbonyl]amino]butanoate

Drug info:

PubChemData

Smile

CC(C)[C@H]1N=C(N=N1)NC(=O)[C@@H]2CC(=O)N(C2)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations