Geometry & MOs

Info

ID:	308391
PubChem CID:	125326861
Reduced:	N2O4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-65.5
Dipole, Da:	2.78
IP(EA), eV:	-9.32(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3S)-6-(2-methylpropanoylamino)-3H-indol-3-yl]-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetic acid

Drug info:

PubChemData

Smile

COCCN1C(=C(C2=CC=CC=C2C1=O)C(=O)O)C3=C4C=CC=CC4=NC3

DOS

IR

Vibrations