Geometry & MOs

Info

ID:	17266
PubChem CID:	490759
Reduced:	N3O5C27H27 (1)
Stoich.:	A3B5C27D27 (1)
Weight, g/mol:	473.195071
ΔH_f, kcal/mol:	-130.04
Dipole, Da:	8.33
IP(EA), eV:	-9.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)N=C2C5=COC=C5

DOS

IR

Vibrations