Geometry & MOs

Info

ID:	387342
PubChem CID:	134985015
Reduced:	PN3O5C22H22 (1)
Stoich.:	AB3C5D22E22 (1)
Weight, g/mol:	340.109293
ΔH_f, kcal/mol:	-29.98
Dipole, Da:	7.68
IP(EA), eV:	-10.06(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-(1-methylsulfanyl-5-nitro-4-oxohexan-3-yl)carbamate

Drug info:

PubChemData

Smile

CCC(C(C1=CC=C(C=C1)[N+](=O)[O-])NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations