Geometry & MOs

Info

ID:	387126
PubChem CID:	134984099
Reduced:	N2O6C27H32 (1)
Stoich.:	A2B6C27D32 (1)
Weight, g/mol:	390.96149
ΔH_f, kcal/mol:	-185.55
Dipole, Da:	3.82
IP(EA), eV:	-8.91(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl N-[1-(4-fluorophenyl)-1-oxobutan-2-yl]sulfamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)O[C@](C)(C#C)[C@@H](C(=O)NCC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations