Geometry & MOs

Info

ID:	149602
PubChem CID:	53789276
Reduced:	N2O5C22H34 (1)
Stoich.:	A2B5C22D34 (1)
Weight, g/mol:	478.185235
ΔH_f, kcal/mol:	-189.45
Dipole, Da:	6.65
IP(EA), eV:	-9.28(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(1H-indol-3-yl)-2-[[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxo-3,1-benzoxazin-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)NO[C@@H](CC1=CC=CC=C1)C(=O)N2CCC(CC2)OCOC

DOS

IR

Vibrations