Geometry & MOs

Info

ID:	434576
PubChem CID:	135175251
Reduced:	BrSF2N3O4C30H34 (1)
Stoich.:	ABC2D3E4F30G34 (1)
Weight, g/mol:	475.12821
ΔH_f, kcal/mol:	-213.98
Dipole, Da:	11.76
IP(EA), eV:	-9.12(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@H](C(=O)N4CCC(CC4)CN)C(C5=CC=C(C=C5)Br)(F)F

DOS

IR

Vibrations