Geometry & MOs

Info

ID:	219503
PubChem CID:	85148769
Reduced:	N4O8C25H34 (1)
Stoich.:	A4B8C25D34 (1)
Weight, g/mol:	518.237664
ΔH_f, kcal/mol:	-207.33
Dipole, Da:	7.28
IP(EA), eV:	-8.43(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[[2-(1-carboxyethylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methoxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCCCC(C(=O)N1CC(CC1C(=O)OC)OC2=CC(=C(C=C2)OC)OC)N3C=C(N=C3)[N+](=O)[O-]

DOS

IR

Vibrations