Geometry & MOs

Info

ID:	231090
PubChem CID:	87572609
Reduced:	F2S2N3O7H27C31 (1)
Stoich.:	A2B2C3D7E27F31 (1)
Weight, g/mol:	187.016684
ΔH_f, kcal/mol:	-227.06
Dipole, Da:	3.86
IP(EA), eV:	-8.95(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azane;ethyl 3,3-dichloropropanoate

Drug info:

PubChemData

Smile

C1CN(C1)C(=O)C2=CC(=CC=C2)OC3=CN=C(S3)NC(=O)C(C4=CC=C(C=C4)S(=O)(=O)C5CCOC5)OC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations