Geometry & MOs

Info

ID:	188765
PubChem CID:	77762961
Reduced:	N3O14C42H53 (1)
Stoich.:	A3B14C42D53 (1)
Weight, g/mol:	383.16452
ΔH_f, kcal/mol:	-568.01
Dipole, Da:	4.97
IP(EA), eV:	-8.46(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(4-fluorophenyl)phenoxy]-4-hydroxypentan-3-yl]-1H-imidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C(CN(C1=CC=C(C=C1)CC(C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O)NC(=O)OC(C)(C)C)C(=O)C(=O)OCC)C3=CC(=C(C=C3)OC)O

DOS

IR

Vibrations