Geometry & MOs

Info

ID:	150260
PubChem CID:	53789948
Reduced:	SN2O7C22H34 (1)
Stoich.:	AB2C7D22E34 (1)
Weight, g/mol:	361.261694
ΔH_f, kcal/mol:	-314.93
Dipole, Da:	7.44
IP(EA), eV:	-9.15(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoate

Drug info:

PubChemData

Smile

CC(=O)OC(C1CCN(CC1)C(=O)OC(C)(C)C)C2=C(C=CC(=C2)OC)S(=O)(=O)N(C)C

DOS

IR

Vibrations