Geometry & MOs

Info

ID:	387136
PubChem CID:	134984127
Reduced:	N3O7C13H21 (1)
Stoich.:	A3B7C13D21 (1)
Weight, g/mol:	340.199822
ΔH_f, kcal/mol:	-106.17
Dipole, Da:	2.73
IP(EA), eV:	-10.35(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-3-methyl-2-[[4-methyl-2-(2-methylprop-2-enyl)-2-nitropent-4-enoyl]amino]butanoate

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)O)ON2C(CC3(O2)CCCC3)([N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations