Geometry & MOs

Info

ID:	225626
PubChem CID:	85856794
Reduced:	PO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	541.241056
ΔH_f, kcal/mol:	-166.58
Dipole, Da:	0.52
IP(EA), eV:	-8.8(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[5-[[(4,4-dimethyl-2-sulfanylpentanoyl)amino]methyl]-2-ethoxy-4-ethylimidazol-1-yl]methyl]-3-fluorophenyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)P(OC1=CC=C(C=C1)O)OC2=CC=C(C=C2)O

DOS

IR

Vibrations