Geometry & MOs

Info

ID:	69245
PubChem CID:	46530519
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	398.087118
ΔH_f, kcal/mol:	9.84
Dipole, Da:	5.7
IP(EA), eV:	-8.98(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(carbamoylamino)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(C3CC3)C4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations