Geometry & MOs

Info

ID:	431771
PubChem CID:	135171877
Reduced:	BrOSF3N4C20H26 (1)
Stoich.:	ABCD3E4F20G26 (1)
Weight, g/mol:	537.283886
ΔH_f, kcal/mol:	-146.29
Dipole, Da:	9.92
IP(EA), eV:	-9.02(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-[4-(2-ethoxycarbonylphenyl)-N-(2-methylpropyl)-2-nitroanilino]-2-azaspiro[3.3]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCC(CC1)OC)C2=C(C=C(C=C2)Br)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations