Geometry & MOs

Info

ID:	176674
PubChem CID:	76081749
Reduced:	S2N6O6H19C21 (1)
Stoich.:	A2B6C6D19E21 (1)
Weight, g/mol:	488.242356
ΔH_f, kcal/mol:	-44.03
Dipole, Da:	10.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.787013
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[[2-(1H-indol-3-yl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CON=C(C1=COC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4C=CS5)C(=O)O

DOS

IR

Vibrations