Geometry & MOs

Info

ID:	157685
PubChem CID:	56436466
Reduced:	ClN2O4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-156.72
Dipole, Da:	6.86
IP(EA), eV:	-9.03(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[methyl-[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]butanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCN(C)C(=O)C1=CC(=C(C=C1OC)N2C=CC=C2)Cl

DOS

IR

Vibrations