Geometry & MOs

Info

ID:	444577
PubChem CID:	135262897
Reduced:	NO4C28H31 (1)
Stoich.:	AB4C28D31 (1)
Weight, g/mol:	470.220557
ΔH_f, kcal/mol:	-114.54
Dipole, Da:	4.28
IP(EA), eV:	-8.89(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[1-[[(2,4-dimethylphenyl)-(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropyl]indol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)C3(CC3)C4=CC5=C(COC(O5)(C)C)C=C4)C

DOS

IR

Vibrations