Geometry & MOs

Info

ID:	201972
PubChem CID:	79610732
Reduced:	ClSO2N3C11H18 (1)
Stoich.:	ABC2D3E11F18 (1)
Weight, g/mol:	308.063092
ΔH_f, kcal/mol:	-81.09
Dipole, Da:	7.17
IP(EA), eV:	-9.13(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-carbamoylthiophen-2-yl)methylamino]-4-fluorobenzoate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)CN2C=CN=C2CCl

DOS

IR

Vibrations