Geometry & MOs

Info

ID:	322161
PubChem CID:	126669027
Reduced:	ClS2O7N8C46H55 (1)
Stoich.:	AB2C7D8E46F55 (1)
Weight, g/mol:	263.052463
ΔH_f, kcal/mol:	-128.59
Dipole, Da:	8.42
IP(EA), eV:	-8.46(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(aminomethyl)-6-chlorophenyl]-2,2-difluoroacetate

Drug info:

PubChemData

Smile

CCO/N=C(/C1=CC=C(C=C1)OCCC(C)CCN2CCN(S2(=O)=O)C3=CC(=NC=C3)N)\C4=C(C=CC(=C4)C5=CC=C(C=C5)OCCCCCN6CCN(S6(=O)=O)C7=CC=NC=C7)Cl

DOS

IR

Vibrations