Geometry & MOs

Info

ID:	415518
PubChem CID:	135088514
Reduced:	NSO4C18H27 (1)
Stoich.:	ABC4D18E27 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-172.73
Dipole, Da:	7.74
IP(EA), eV:	-8.99(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)pentanamide

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)S(=O)(=O)N2CCC[C@@]3(C2)CCC[C@H]3O)OC

DOS

IR

Vibrations