Geometry & MOs

Info

ID:	307384
PubChem CID:	125299749
Reduced:	N2O6C27H30 (1)
Stoich.:	A2B6C27D30 (1)
Weight, g/mol:	478.210387
ΔH_f, kcal/mol:	-193.31
Dipole, Da:	7.27
IP(EA), eV:	-9.28(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-2-[[(4R)-4-butyl-2-oxo-3,4-dihydrochromen-7-yl]oxy]propanoyl]amino]-3-(2H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CCCC[C@@H]1CC(=O)OC2=C1C=CC(=C2)O[C@@H](C)C(=O)N[C@@H](CC3=C4C=CC=CC4=NC3)C(=O)O

DOS

IR

Vibrations