Geometry & MOs

Info

ID:	46739
PubChem CID:	10526820
Reduced:	N6O7C18H22 (1)
Stoich.:	A6B7C18D22 (1)
Weight, g/mol:	434.205301
ΔH_f, kcal/mol:	-259.49
Dipole, Da:	12.02
IP(EA), eV:	-9.36(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-acetamido-2-[(8,8-dimethyl-3-nitro-6,7-dihydro-5H-naphthalen-2-yl)methyl]propanedioate

Drug info:

PubChemData

Smile

C1CN([C@H](C(=O)N1CC(=O)O)CC(=O)O)C(=O)CNC(=O)C2=CC=C(C=C2)N=C(N)N

DOS

IR

Vibrations