Geometry & MOs

Info

ID:	336036
PubChem CID:	127255043
Reduced:	SO3N4C27H28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	292.176007
ΔH_f, kcal/mol:	-32.08
Dipole, Da:	8.56
IP(EA), eV:	-8.23(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCCCCC2)N3CC(=O)C(=C3N)C4=NC(=CS4)C5=CC=CC=C5

DOS

IR

Vibrations