Geometry & MOs

Info

ID:	46137
PubChem CID:	10522351
Reduced:	N2O7H14C17 (1)
Stoich.:	A2B7C14D17 (1)
Weight, g/mol:	358.174001
ΔH_f, kcal/mol:	-166.71
Dipole, Da:	10.21
IP(EA), eV:	-9.59(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (2S,3S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]aziridine-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC(=O)C

DOS

IR

Vibrations