Geometry & MOs

Info

ID:	336349
PubChem CID:	127255356
Reduced:	N3O5H27C28 (1)
Stoich.:	A3B5C27D28 (1)
Weight, g/mol:	327.180758
ΔH_f, kcal/mol:	-129.54
Dipole, Da:	1.53
IP(EA), eV:	-8.6(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)CN2C3C4=C(C(=C(C=C4)OC)OC)C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations