Geometry & MOs

Info

ID:	228291
PubChem CID:	87563820
Reduced:	BrSN3O3H14C16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	400.330108
ΔH_f, kcal/mol:	-67.31
Dipole, Da:	4.37
IP(EA), eV:	-9.03(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-hydroxy-3-oxo-1-(tetradecylamino)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC(=O)N(C2=CC=C(C=C2)C(=O)N)S)Br

DOS

IR

Vibrations