Geometry & MOs

Info

ID:	72245
PubChem CID:	48415965
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	401.152161
ΔH_f, kcal/mol:	-61.53
Dipole, Da:	5.17
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations