Geometry & MOs

Info

ID:	44284
PubChem CID:	10502500
Reduced:	NSO6C21H31 (1)
Stoich.:	ABC6D21E31 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-293.8
Dipole, Da:	2.3
IP(EA), eV:	-8.84(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[[5-(hydroxymethyl)-2-methylsulfanylimidazol-1-yl]methyl]anilino]-2-(2-methylphenyl)acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)SC1=CC=C(C=C1)OC

DOS

IR

Vibrations