Geometry & MOs

Info

ID:	447275
PubChem CID:	135281714
Reduced:	BrNCl2F2O5H20C27 (1)
Stoich.:	ABC2D2E5F20G27 (1)
Weight, g/mol:	498.15295
ΔH_f, kcal/mol:	-221.76
Dipole, Da:	7.64
IP(EA), eV:	-9.65(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C(CO1)(CO[C@@]2(C3=C(C=C(C=C3F)Br)C(=O)N2C(CC(=O)O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)F

DOS

IR

Vibrations