Geometry & MOs

Info

ID:	138499
PubChem CID:	52375222
Reduced:	O2S2N4C15H16 (1)
Stoich.:	A2B2C4D15E16 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-6.14
Dipole, Da:	4.43
IP(EA), eV:	-8.7(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(N=CN=C3S2)NCCCS(=O)(=O)N

DOS

IR

Vibrations