Geometry & MOs

Info

ID:	392867
PubChem CID:	135018248
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	358.171269
ΔH_f, kcal/mol:	-165.31
Dipole, Da:	7.09
IP(EA), eV:	-8.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-(1H-indol-3-yl)-2-[[(E)-4-trimethylsilylbut-2-enoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CC2=CC(=C(C(=C2C3=C(C1)[C@H]4[C@@H]3C=C(C4=O)OC)OC)OC)OC

DOS

IR

Vibrations