Geometry & MOs

Info

ID:	89452
PubChem CID:	49961823
Reduced:	NSO3H19C22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	320.116092
ΔH_f, kcal/mol:	-52.59
Dipole, Da:	2.66
IP(EA), eV:	-8.44(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-1-(1H-pyrrol-2-yl)-1H-benzo[f]chromene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)SC)C4=CC=CC=C4C=C2)N

DOS

IR

Vibrations