Geometry & MOs

Info

ID:	44385
PubChem CID:	10503302
Reduced:	NO3H19C30 (1)
Stoich.:	AB3C19D30 (1)
Weight, g/mol:	441.226371
ΔH_f, kcal/mol:	42.78
Dipole, Da:	2.72
IP(EA), eV:	-8.77(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[4-[4-[(E)-hydroxyiminomethyl]phenoxy]butylamino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)C1=NC(=C2C3=CC=CC=C3C4=CC=CC=C42)C5(O1)C6=CC=CC=C6C7=CC=CC=C57

DOS

IR

Vibrations