Geometry & MOs

Info

ID:	419426
PubChem CID:	135108160
Reduced:	O4N7C31H41 (1)
Stoich.:	A4B7C31D41 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-141.39
Dipole, Da:	4.15
IP(EA), eV:	-8.54(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)C5=CN=CN5C)C(C)C

DOS

IR

Vibrations