Geometry & MOs

Info

ID:	448915
PubChem CID:	135294472
Reduced:	SO2N6C24H36 (1)
Stoich.:	AB2C6D24E36 (1)
Weight, g/mol:	471.252878
ΔH_f, kcal/mol:	-52.87
Dipole, Da:	10.88
IP(EA), eV:	-8.49(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)propyl]azetidin-1-yl]-1-thiophen-2-ylpropyl]-2-(tetrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCC(CC1CCCN1CCC(C2=NC=CS2)NC=O)N3C(=NC4=C3CCN(C4)C(=O)C)C

DOS

IR

Vibrations