Geometry & MOs

Info

ID:	220550
PubChem CID:	85197743
Reduced:	SO3N5C13H21 (1)
Stoich.:	AB3C5D13E21 (1)
Weight, g/mol:	327.150429
ΔH_f, kcal/mol:	-0.55
Dipole, Da:	10.63
IP(EA), eV:	-9.11(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(benzenesulfonyl)pentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCN(CC)CCCNC(=O)NN=CC1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations