Geometry & MOs

Info

ID:	29209
PubChem CID:	832320
Reduced:	NOSC15H21 (1)
Stoich.:	ABCD15E21 (1)
Weight, g/mol:	349.088498
ΔH_f, kcal/mol:	-28.69
Dipole, Da:	6.03
IP(EA), eV:	-8.12(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)C(=S)N2CCCC2

DOS

IR

Vibrations