Geometry & MOs

Info

ID:	380160
PubChem CID:	134970370
Reduced:	NPO7C25H26 (1)
Stoich.:	ABC7D25E26 (1)
Weight, g/mol:	341.083413
ΔH_f, kcal/mol:	-292.28
Dipole, Da:	3.58
IP(EA), eV:	-9.45(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(3-carbamoyl-4,5-dimethylthiophen-2-yl)iminochromene-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C1=CC=CC=C1)OP(=O)([C@H](C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O

DOS

IR

Vibrations