Geometry & MOs

Info

ID:	335813
PubChem CID:	127254675
Reduced:	BrClN2O4H20C28 (1)
Stoich.:	ABC2D4E20F28 (1)
Weight, g/mol:	327.180758
ΔH_f, kcal/mol:	-58.2
Dipole, Da:	3.08
IP(EA), eV:	-8.82(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-[2-(benzimidazol-1-yl)ethyl]-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)[C@H]2[C@@H]3[C@H]([C@H]4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC(=CC=C6)Cl)Br

DOS

IR

Vibrations