Geometry & MOs

Info

ID:	444700
PubChem CID:	135263281
Reduced:	O3N5C28H35 (1)
Stoich.:	A3B5C28D35 (1)
Weight, g/mol:	500.267508
ΔH_f, kcal/mol:	-51.13
Dipole, Da:	3.54
IP(EA), eV:	-7.99(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[5-[2-[[(2,4-dimethylphenyl)-(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]indol-1-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CN=C(N=C3)N4CCOCC4)N5CCCCC5

DOS

IR

Vibrations