Geometry & MOs

Info

ID:	190339
PubChem CID:	77989624
Reduced:	S2N4O7C15H26 (1)
Stoich.:	A2B4C7D15E26 (1)
Weight, g/mol:	344.153621
ΔH_f, kcal/mol:	-337.0
Dipole, Da:	6.91
IP(EA), eV:	-9.18(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-ethoxypyridin-3-yl)-2-hydroxyethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC(CNC(=O)NC(CSSC(C)(C)C)C(=O)NCC(=O)O)C(=O)O

DOS

IR

Vibrations