Geometry & MOs

Info

ID:	214480
PubChem CID:	85083108
Reduced:	N3O7C29H37 (1)
Stoich.:	A3B7C29D37 (1)
Weight, g/mol:	543.274659
ΔH_f, kcal/mol:	-270.19
Dipole, Da:	7.64
IP(EA), eV:	-9.15(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CN(C)C1C2CC3CC4=C(C(=O)C3C(=O)C2(C(=O)C(C1=O)C(=O)N)O)C(=C(C=C4)CNCC5CCCCC5)O

DOS

IR

Vibrations