Geometry & MOs

Info

ID:	384684
PubChem CID:	134977464
Reduced:	N2O5C13H22 (1)
Stoich.:	A2B5C13D22 (1)
Weight, g/mol:	401.195071
ΔH_f, kcal/mol:	-237.69
Dipole, Da:	0.43
IP(EA), eV:	-10.08(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-[[(2S)-2-(1-methylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]but-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC/C=C/C(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations