Geometry & MOs

Info

ID:	189032
PubChem CID:	77806449
Reduced:	IN2O6C16H17 (1)
Stoich.:	AB2C6D16E17 (1)
Weight, g/mol:	422.278072
ΔH_f, kcal/mol:	-164.82
Dipole, Da:	8.95
IP(EA), eV:	-9.18(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6,6-dimethyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oct-7-enoyl]-3-azabicyclo[3.1.0]hexan-2-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O.I

DOS

IR

Vibrations