Geometry & MOs

Info

ID:	387498
PubChem CID:	134985592
Reduced:	BrN2O6C23H23 (1)
Stoich.:	AB2C6D23E23 (1)
Weight, g/mol:	417.95599
ΔH_f, kcal/mol:	-160.62
Dipole, Da:	4.5
IP(EA), eV:	-9.14(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl N-[1-(3-nitrophenyl)-1-oxobutan-2-yl]sulfamate

Drug info:

PubChemData

Smile

C[C@@](C#C)([C@@H](C(=O)NCC(=O)OC)NC(=O)OCC1=CC=CC=C1)OC2=CC=C(C=C2)Br

DOS

IR

Vibrations