Geometry & MOs

Info

ID:	188555
PubChem CID:	77732645
Reduced:	ClFNaN2O5C28H38 (1)
Stoich.:	ABCD2E5F28G38 (1)
Weight, g/mol:	573.135275
ΔH_f, kcal/mol:	-270.83
Dipole, Da:	6.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750000
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[2-amino-2-[1-butyl-4-(2,4-dichlorophenyl)imidazol-2-yl]ethyl]phenoxy]benzoate;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)CCCCCC(=O)OCCCC1CC2C(C(C1)F)NCC(C2=O)C(=O)NCC3=CC=C(C=C3)Cl.[Na]

DOS

IR

Vibrations