Geometry & MOs

Info

ID:	416507
PubChem CID:	135089525
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	312.098918
ΔH_f, kcal/mol:	-87.38
Dipole, Da:	6.76
IP(EA), eV:	-9.74(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-1,2-oxazol-5-yl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations