Geometry & MOs

Info

ID:	141004
PubChem CID:	52798848
Reduced:	BrFO2N3H19C23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	448.156912
ΔH_f, kcal/mol:	-22.67
Dipole, Da:	3.78
IP(EA), eV:	-9.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(benzenesulfonamido)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)CNC(=O)COC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations