Geometry & MOs

Info

ID:	225629
PubChem CID:	87219076
Reduced:	SN2O5C21H30 (1)
Stoich.:	AB2C5D21E30 (1)
Weight, g/mol:	557.211506
ΔH_f, kcal/mol:	-168.12
Dipole, Da:	2.34
IP(EA), eV:	-8.61(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-chloro-4-[[4-ethyl-5-[[[(2S)-4-methyl-2-sulfanylpentanoyl]amino]methyl]-2-propoxyimidazol-1-yl]methyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC[C@@]12CCCC[C@H]1[C@@H]3C/C(=N\O)/C4=CC(=C(C=C4[C@H]3CC2)OC)OS(=O)(=O)N

DOS

IR

Vibrations