Geometry & MOs

Info

ID:	185469
PubChem CID:	77302597
Reduced:	ClNF4O4C24H24 (1)
Stoich.:	ABC4D4E24F24 (1)
Weight, g/mol:	460.09977
ΔH_f, kcal/mol:	-343.7
Dipole, Da:	3.01
IP(EA), eV:	-9.39(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[3-[(4-bromophenyl)methylcarbamoyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1C(C(=O)C2CC(C(CC2N1)OC)Cl)C3=C(C=C(C=C3)OC4=CC=C(C=C4)OC(F)(F)F)F

DOS

IR

Vibrations