Geometry & MOs

Info

ID:	435202
PubChem CID:	135184461
Reduced:	N4O5C19H20 (1)
Stoich.:	A4B5C19D20 (1)
Weight, g/mol:	441.135842
ΔH_f, kcal/mol:	-127.36
Dipole, Da:	8.13
IP(EA), eV:	-9.16(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-(1-methoxyethyl)-2-[methyl(thiophen-2-ylmethyl)amino]-4-oxo-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolane-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)C2=C(C(=O)/C(=C/C3=CNC4=C3C=CC=N4)/O2)C(=O)O

DOS

IR

Vibrations