Geometry & MOs

Info

ID:	189664
PubChem CID:	77886364
Reduced:	S2N3O6H13C15 (1)
Stoich.:	A2B3C6D13E15 (1)
Weight, g/mol:	392.151826
ΔH_f, kcal/mol:	-96.36
Dipole, Da:	9.64
IP(EA), eV:	-9.81(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-methylimidazolidin-2-amine

Drug info:

PubChemData

Smile

CC(=O)NC1C2N(C1=O)C(=C(CS2)C=CC3=CC=C(S3)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations