Geometry & MOs

Info

ID:	298943
PubChem CID:	117664419
Reduced:	NOC5H9 (2)
Stoich.:	ABC5D9 (2)
Weight, g/mol:	759.40948
ΔH_f, kcal/mol:	-106.89
Dipole, Da:	5.14
IP(EA), eV:	-8.97(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[(1S,3R,4R,6S)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-[(2-oxooxolan-3-yl)amino]-2,4,6-tris(phenylmethoxy)cyclohexyl]amino]acetate

Drug info:

PubChemData

Smile

CC12CC(CC1CN(C2)C(=O)O)NC

DOS

IR

Vibrations