Geometry & MOs

Info

ID:	29182
PubChem CID:	832203
Reduced:	N4O5C11H14 (1)
Stoich.:	A4B5C11D14 (1)
Weight, g/mol:	329.047027
ΔH_f, kcal/mol:	-217.09
Dipole, Da:	3.89
IP(EA), eV:	-10.28(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H]2[C@H](N(C(=O)N2C)C(=O)C)N(C1=O)C(=O)C

DOS

IR

Vibrations