Geometry & MOs

Info

ID:	381142
PubChem CID:	134971793
Reduced:	NO3C8H11 (2)
Stoich.:	AB3C8D11 (2)
Weight, g/mol:	431.176644
ΔH_f, kcal/mol:	-184.76
Dipole, Da:	3.82
IP(EA), eV:	-9.94(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(4-methylphenyl)sulfonyl-N-(1-phenoxypent-4-en-2-yl)carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)N(CC1=CC=CC=C1[N+](=O)[O-])C(=O)OC(C)(C)C

DOS

IR

Vibrations