Geometry & MOs

Info

ID:	134599
PubChem CID:	51721530
Reduced:	N4O6C23H30 (1)
Stoich.:	A4B6C23D30 (1)
Weight, g/mol:	425.182495
ΔH_f, kcal/mol:	-223.64
Dipole, Da:	8.58
IP(EA), eV:	-8.91(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E)-4-[[3-[(R)-carboxylato-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]methyl]-1H-indol-6-yl]amino]-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=CC(=C2)C(=O)O)[C@@H](C(=O)O)N3CCN(CC3)CC(=O)NC[C@H]4CCCO4

DOS

IR

Vibrations