Geometry & MOs

Info

ID:	69304
PubChem CID:	46530628
Reduced:	SN4O5C19H20 (1)
Stoich.:	AB4C5D19E20 (1)
Weight, g/mol:	482.144633
ΔH_f, kcal/mol:	-79.8
Dipole, Da:	3.31
IP(EA), eV:	-9.26(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)CNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations