Geometry & MOs

Info

ID:	17267
PubChem CID:	490761
Reduced:	N3O5C29H31 (1)
Stoich.:	A3B5C29D31 (1)
Weight, g/mol:	501.226371
ΔH_f, kcal/mol:	-152.49
Dipole, Da:	5.76
IP(EA), eV:	-9.06(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5)C)O

DOS

IR

Vibrations