Geometry & MOs

Info

ID:	17268
PubChem CID:	490762
Reduced:	N3O5C28H29 (1)
Stoich.:	A3B5C28D29 (1)
Weight, g/mol:	487.210721
ΔH_f, kcal/mol:	-127.71
Dipole, Da:	4.71
IP(EA), eV:	-8.96(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5

DOS

IR

Vibrations