Geometry & MOs

Info

ID:	444334
PubChem CID:	135262103
Reduced:	O3N7C21H21 (1)
Stoich.:	A3B7C21D21 (1)
Weight, g/mol:	323.070168
ΔH_f, kcal/mol:	3.44
Dipole, Da:	0.11
IP(EA), eV:	-8.94(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[[2-(aminomethyl)-4-oxochromene-6-carbonyl]amino]propane-1-sulfinate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=NN3C=CC=C3C(=N2)NC4=C(C=NC=C4)C(=O)NC[C@@H](CO)O

DOS

IR

Vibrations