Geometry & MOs

Info

ID:	160219
PubChem CID:	57309565
Reduced:	N2O5C37H48 (1)
Stoich.:	A2B5C37D48 (1)
Weight, g/mol:	445.200156
ΔH_f, kcal/mol:	-126.87
Dipole, Da:	3.72
IP(EA), eV:	-8.37(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[[(2S)-6-methoxy-2-(2-methylpropyl)-3-oxo-2H-pyrazin-5-ylidene]methyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1C2=C(C(=C(C=C2C[C@@H](N1C3=CC=CC=C3)CCC[C@@](C#N)(C4=CC(=C(C=C4)OC)OC)C(C)C)OC)OC)OC

DOS

IR

Vibrations