Geometry & MOs

Info

ID:	14764
PubChem CID:	419802
Reduced:	N2O4C11H12 (2)
Stoich.:	A2B4C11D12 (2)
Weight, g/mol:	472.159414
ΔH_f, kcal/mol:	-218.84
Dipole, Da:	8.81
IP(EA), eV:	-9.89(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-4-[[1-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

COC(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N

DOS

IR

Vibrations