Geometry & MOs

Info

ID:	420254
PubChem CID:	135112100
Reduced:	ClFO5N6C28H32 (1)
Stoich.:	ABC5D6E28F32 (1)
Weight, g/mol:	370.1021
ΔH_f, kcal/mol:	-176.0
Dipole, Da:	3.2
IP(EA), eV:	-9.21(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)sulfonyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)COC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations