Geometry & MOs

Info

ID:	81116
PubChem CID:	49854368
Reduced:	N2O4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	410.200571
ΔH_f, kcal/mol:	-129.89
Dipole, Da:	4.7
IP(EA), eV:	-8.37(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-fluoro-1-[3-(2-phenylpropan-2-ylamino)propanoyl]indol-3-yl]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(CC2CCC(=O)O)C(=O)CCNC3(CC3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations