Geometry & MOs

Info

ID:	234526
PubChem CID:	92298611
Reduced:	FO2N4H31C34 (1)
Stoich.:	AB2C4D31E34 (1)
Weight, g/mol:	539.228102
ΔH_f, kcal/mol:	-20.08
Dipole, Da:	4.85
IP(EA), eV:	-9.11(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[1,3-benzodioxol-5-yl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-cyclohexyl-2-pyridin-2-ylacetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@@H](C2=CC=C(C=C2)F)N(C3=CC4=CC=CC=C4N=C3)C(=O)C5=CC=C(N5)C6=CC=CC=C6

DOS

IR

Vibrations