Geometry & MOs

Info

ID:	181815
PubChem CID:	76798634
Reduced:	Cl3O3N5C23H26 (1)
Stoich.:	A3B3C5D23E26 (1)
Weight, g/mol:	553.152656
ΔH_f, kcal/mol:	-58.1
Dipole, Da:	4.53
IP(EA), eV:	-9.68(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[5-[5-[(3,4-dichlorophenyl)methyl]tetrazol-2-yl]pentyl]-1-pentyl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCCN1C2C(CC(=N2)Cl)C(=O)N(C1=O)CCCC3=NC(=NO3)CC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations