Geometry & MOs

Info

ID:	194497
PubChem CID:	78545880
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	391.214744
ΔH_f, kcal/mol:	-107.17
Dipole, Da:	3.33
IP(EA), eV:	-8.97(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-benzylbenzoate

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)COC(=O)C1=CC=CC=C1CSC2=NC(=CC(=N2)C)C

DOS

IR

Vibrations