Geometry & MOs

Info

ID:	424886
PubChem CID:	135124325
Reduced:	FSO4N6C31H37 (1)
Stoich.:	ABC4D6E31F37 (1)
Weight, g/mol:	236.09277
ΔH_f, kcal/mol:	-113.59
Dipole, Da:	8.37
IP(EA), eV:	-9.12(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(2-chloroacetyl)-methylamino]-2,2-dimethylpropyl]carbamic acid

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=C(O1)N=CC=C2)CC3=C(C=CC(=C3)C(CC(=O)NCCF)C4=C(C5=C(C=C4)N(N=N5)CC)C)C

DOS

IR

Vibrations