Geometry & MOs

Info

ID:	329497
PubChem CID:	126737545
Reduced:	BrS2N3O3C13H18 (1)
Stoich.:	AB2C3D3E13F18 (1)
Weight, g/mol:	573.164617
ΔH_f, kcal/mol:	-106.11
Dipole, Da:	4.57
IP(EA), eV:	-8.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[[2-[[5-(difluoromethyl)thiophene-2-carbonyl]amino]-1-(2,3-dihydro-1H-indol-6-yl)benzimidazol-5-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]([C@@](CO1)(C2=NC(=CS2)Br)NC(=S)NC(=O)C)CO

DOS

IR

Vibrations