Geometry & MOs

Info

ID:	42950
PubChem CID:	10317351
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	375.240959
ΔH_f, kcal/mol:	-206.47
Dipole, Da:	1.77
IP(EA), eV:	-8.92(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]phenyl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C)(C)CC(=O)NC1CCC2=CC=CC=C2NC1=O

DOS

IR

Vibrations