Geometry & MOs

Info

ID:	72362
PubChem CID:	48416088
Reduced:	O3N5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	301.099731
ΔH_f, kcal/mol:	-70.45
Dipole, Da:	7.58
IP(EA), eV:	-9.18(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methylthiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CCCC3=NC4=CC=CC=C4N3)NC1=O

DOS

IR

Vibrations