Geometry & MOs

Info

ID:	434708
PubChem CID:	135175555
Reduced:	BrSF2N3O6C33H38 (1)
Stoich.:	ABC2D3E6F33G38 (1)
Weight, g/mol:	447.09691
ΔH_f, kcal/mol:	-323.72
Dipole, Da:	11.08
IP(EA), eV:	-9.18(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S)-1-[2-amino-3-(4-bromophenyl)-3,3-difluoropropanoyl]pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CCN(C1)C(=O)C(C(C2=CC=C(C=C2)Br)(F)F)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)OC5CCCC5

DOS

IR

Vibrations