Geometry & MOs

Info

ID:	177830
PubChem CID:	76238774
Reduced:	N5O5C23H29 (1)
Stoich.:	A5B5C23D29 (1)
Weight, g/mol:	444.092597
ΔH_f, kcal/mol:	-176.76
Dipole, Da:	5.36
IP(EA), eV:	-9.49(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4-oxo-4aH-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C(=O)CN(C)C2C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)C

DOS

IR

Vibrations