Geometry & MOs

Info

ID:	134878
PubChem CID:	51774133
Reduced:	N3O8C24H31 (1)
Stoich.:	A3B8C24D31 (1)
Weight, g/mol:	432.249846
ΔH_f, kcal/mol:	-266.18
Dipole, Da:	10.44
IP(EA), eV:	-9.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[methyl-[(E,2R)-1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)hept-3-en-2-yl]carbamoyl]-4-nitrophenolate

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@@H](C1=C(C=C(C=C1O)O)O)N(C)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

DOS

IR

Vibrations