Geometry & MOs

Info

ID:	417223
PubChem CID:	135091735
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-132.84
Dipole, Da:	4.51
IP(EA), eV:	-9.19(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-3-(3-methoxy-4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@H]1O)(CC2=CC=CC=C2)C(=O)O)CC(=O)NCC3=CC=CS3

DOS

IR

Vibrations