Geometry & MOs

Info

ID:	120932
PubChem CID:	50750975
Reduced:	ClSO2N4C17H17 (1)
Stoich.:	ABC2D4E17F17 (1)
Weight, g/mol:	460.148159
ΔH_f, kcal/mol:	-20.17
Dipole, Da:	5.89
IP(EA), eV:	-8.84(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N2C(=O)C(=C(N2)C)CCC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations