Geometry & MOs

Info

ID:	423219
PubChem CID:	135119132
Reduced:	ClSN2O2C20H23 (1)
Stoich.:	ABC2D2E20F23 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-43.84
Dipole, Da:	6.32
IP(EA), eV:	-8.8(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-hydroxyethyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(O1)SC2=CC=C(C=C2)Cl)[C@@H]3C[C@@H]4CC(=O)NC[C@@H]4C3

DOS

IR

Vibrations