Geometry & MOs

Info

ID:	157317
PubChem CID:	56422873
Reduced:	N2O7H16C18 (1)
Stoich.:	A2B7C16D18 (1)
Weight, g/mol:	443.122752
ΔH_f, kcal/mol:	-154.14
Dipole, Da:	5.76
IP(EA), eV:	-9.1(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutanamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=C3C(=CC=C2)OCCO3)[N+](=O)[O-]

DOS

IR

Vibrations