Geometry & MOs

Info

ID:	56506
PubChem CID:	17435990
Reduced:	FSN2O5C23H23 (1)
Stoich.:	ABC2D5E23F23 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-180.84
Dipole, Da:	6.65
IP(EA), eV:	-8.77(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCOC3=CC4=CC=CC=C4C=C3)F

DOS

IR

Vibrations