Geometry & MOs

Info

ID:	189275
PubChem CID:	77836641
Reduced:	ClS2N5O8C32H44 (1)
Stoich.:	AB2C5D8E32F44 (1)
Weight, g/mol:	430.148849
ΔH_f, kcal/mol:	-315.89
Dipole, Da:	16.92
IP(EA), eV:	-8.77(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(cyanatocarbonylamino)acetyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CCCCC1NC2=CC(=C(C=C2SN1)S(=O)(=O)NCC3=CC=C(C=C3)COCC(C(=O)OCC)NC(C)C(=O)N4CCCC4C(=O)O)Cl

DOS

IR

Vibrations