Geometry & MOs

Info

ID:	196483
PubChem CID:	78836717
Reduced:	SN2O5H20C22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	442.126361
ΔH_f, kcal/mol:	-122.14
Dipole, Da:	9.18
IP(EA), eV:	-8.84(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC=C(C=C2)O)C(=O)C3=CC=C(S3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations