Geometry & MOs

Info

ID:	47049
PubChem CID:	10529177
Reduced:	SN2O6C25H36 (1)
Stoich.:	AB2C6D25E36 (1)
Weight, g/mol:	492.298808
ΔH_f, kcal/mol:	-263.77
Dipole, Da:	8.66
IP(EA), eV:	-8.8(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[[2-cyclobutyl-1-(2-piperidin-1-ylphenyl)ethyl]amino]-2-oxoethyl]-2-ethoxybenzoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2(CC2)NC(=O)[C@H](C(C)C)SC(=O)C(C)(C)C

DOS

IR

Vibrations