Geometry & MOs

Info

ID:	335763
PubChem CID:	127254625
Reduced:	BrSN2O2F4H23C31 (1)
Stoich.:	ABC2D2E4F23G31 (1)
Weight, g/mol:	364.226312
ΔH_f, kcal/mol:	-160.91
Dipole, Da:	7.64
IP(EA), eV:	-8.34(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one

Drug info:

PubChemData

Smile

C1C/C(=C/C2=CC=C(C=C2)OC(F)F)/C3=C(C1)C(N4C(=CSC4=N3)C5=CC=C(C=C5)Br)C6=CC=C(C=C6)OC(F)F

DOS

IR

Vibrations