Geometry & MOs

Info

ID:	36766
PubChem CID:	8012417
Reduced:	N2O3H14C17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	377.177313
ΔH_f, kcal/mol:	-31.67
Dipole, Da:	6.26
IP(EA), eV:	-9.44(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-ethyl-2-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C3=NN=CO3)C

DOS

IR

Vibrations