Geometry & MOs

Info

ID:	219451
PubChem CID:	85148689
Reduced:	N2O7C28H34 (1)
Stoich.:	A2B7C28D34 (1)
Weight, g/mol:	510.251858
ΔH_f, kcal/mol:	-248.59
Dipole, Da:	6.84
IP(EA), eV:	-9.14(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[3-[1-[(2-methylphenyl)methyl]indol-5-yl]but-2-enoylamino]phenoxy]butanoate

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(CC2=C1)NCC(C3=CC=C(C4=NC(=O)C=CC34)O)O)CC.C(CC(=O)O)C(=O)O

DOS

IR

Vibrations